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Ethyl 2-((Z)-2-cyano-2-((Z)-4-(4-(dimethylamino)-benzylidene)-5-oxo-3-phenylthiazolidin-2-ylidene)acetamido)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 2-((Z)-2-cyano-2-((Z)-4-(4-(dimethylamino)-benzylidene)-5-oxo-3-phenylthiazolidin-2-ylidene)acetamido)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
SpectraBase Compound ID 2UCxJTznsh0
InChI InChI=1S/C32H30N4O4S2/c1-4-40-31(38)27-23-12-8-9-13-26(23)41-29(27)34-28(37)24(19-33)30-36(22-10-6-5-7-11-22)25(32(39)42-30)18-20-14-16-21(17-15-20)35(2)3/h5-7,10-11,14-18H,4,8-9,12-13H2,1-3H3,(H,34,37)/b25-18-,30-24-
InChIKey YMNITLPVCLKYEZ-LFJZAZSPSA-N
Mol Weight 598.7 g/mol
Molecular Formula C32H30N4O4S2
Exact Mass 598.170848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOc97RMMGDU
Name Ethyl 2-((Z)-2-cyano-2-((Z)-4-(4-(dimethylamino)-benzylidene)-5-oxo-3-phenylthiazolidin-2-ylidene)acetamido)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
Alternate Name(s) Ethyl 2-((Z)-2-cyano-2-((Z)-4-(4-(dimethylamino)benzylidene)-5-oxo-3-phenylthiazolidin-2-ylidene)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 2-[[(2Z)-2-cyano-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-3-phenyl-2-thiazolidinylidene]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[(2Z)-2-cyano-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[(2Z)-2-cyano-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylene]-5-oxo-3-phenyl-thiazolidin-2-ylidene]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[[(2Z)-2-cyano-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxidanylidene-3-phenyl-1,3-thiazolidin-2-ylidene]ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C32H30N4O4S2
InChI InChI=1S/C32H30N4O4S2/c1-4-40-31(38)27-23-12-8-9-13-26(23)41-29(27)34-28(37)24(19-33)30-36(22-10-6-5-7-11-22)25(32(39)42-30)18-20-14-16-21(17-15-20)35(2)3/h5-7,10-11,14-18H,4,8-9,12-13H2,1-3H3,(H,34,37)/b25-18-,30-24-
InChIKey YMNITLPVCLKYEZ-LFJZAZSPSA-N
Literature Reference DOI 10.1002/ardp.201000165
Molecular Weight 598.736 g/mol
SMILES N(c1sc2c(CCCC2)c1C(OCC)=O)C(\C(=C/1SC(\C(N1c1ccccc1)=C\c1ccc(cc1)N(C)C)=O)C#N)=O
SPLASH splash10-004i-9807020000-3b3e0920af858e0ebe8e
Source of Spectrum APC-344-175-5a
Wiley ID 1769212