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(Z)-ethyl 2-(2-cyano-3-mercapto-3-(phenylamino)acrylamido)-4,5,6,7-tetrahydrobenzo-[b]thiophene-3-carboxylate
SpectraBase Compound ID ITSwgUpFy1t
InChI InChI=1S/C21H21N3O3S2/c1-2-27-21(26)17-14-10-6-7-11-16(14)29-20(17)24-18(25)15(12-22)19(28)23-13-8-4-3-5-9-13/h3-5,8-9,23,28H,2,6-7,10-11H2,1H3,(H,24,25)/b19-15-
InChIKey KXSJLVAFZDZZKV-CYVLTUHYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C21H21N3O3S2
Exact Mass 427.102434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgQVWHaGHgQ
Name (Z)-ethyl 2-(2-cyano-3-mercapto-3-(phenylamino)acrylamido)-4,5,6,7-tetrahydrobenzo-[b]thiophene-3-carboxylate
Alternate Name(s) (Z)-ethyl 2-(2-cyano-3-mercapto-3-(phenylamino)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 2-[[(Z)-3-anilino-2-cyano-3-mercapto-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[(Z)-3-anilino-2-cyano-3-sulfanylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[(Z)-3-anilino-2-cyano-3-sulfanyl-prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[[(Z)-2-cyano-3-phenylazanyl-3-sulfanyl-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C21H21N3O3S2
InChI InChI=1S/C21H21N3O3S2/c1-2-27-21(26)17-14-10-6-7-11-16(14)29-20(17)24-18(25)15(12-22)19(28)23-13-8-4-3-5-9-13/h3-5,8-9,23,28H,2,6-7,10-11H2,1H3,(H,24,25)/b19-15-
InChIKey KXSJLVAFZDZZKV-CYVLTUHYSA-N
Literature Reference DOI 10.1002/ardp.201000165
Molecular Weight 427.537 g/mol
SMILES N(c1sc2CCCCc2c1C(OCC)=O)C(\C(=C/(S)Nc1ccccc1)C#N)=O
SPLASH splash10-00mo-9110000000-73644ceea90b93ef7695
Source of Spectrum APC-344-175-7
Wiley ID 1769215