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1-Benzothiophene-3-carboxylic acid, 2-[[2-[3-(3-furanylmethyl)-4-oxo-2-thioxo-5-thiazolidinyl]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 3s2ykvkN9fW
InChI InChI=1S/C21H22N2O5S3/c1-2-28-20(26)17-13-5-3-4-6-14(13)30-18(17)22-16(24)9-15-19(25)23(21(29)31-15)10-12-7-8-27-11-12/h7-8,11,15H,2-6,9-10H2,1H3,(H,22,24)
InChIKey YZINTJNSHWJANX-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C21H22N2O5S3
Exact Mass 478.069085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ky7IhiJKNTQ
Name 1-Benzothiophene-3-carboxylic acid, 2-[[2-[3-(3-furanylmethyl)-4-oxo-2-thioxo-5-thiazolidinyl]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
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Formula C21H22N2O5S3
InChI InChI=1S/C21H22N2O5S3/c1-2-28-20(26)17-13-5-3-4-6-14(13)30-18(17)22-16(24)9-15-19(25)23(21(29)31-15)10-12-7-8-27-11-12/h7-8,11,15H,2-6,9-10H2,1H3,(H,22,24)
InChIKey YZINTJNSHWJANX-UHFFFAOYSA-N
Molecular Weight 478.596 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)C(CC1C(N(C(S1)=S)Cc1cocc1)=O)=O
SPLASH splash10-001i-9310000000-e36e8717ab5c8e1c1c7f
Source of Spectrum IY-2-5036-7
Synonyms Ethyl 2-{2-[3-(furan-3-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 2-[[2-[3-(3-furanylmethyl)-4-oxo-2-sulfanylidene-5-thiazolidinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[2-[3-(furan-3-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-[3-(3-furylmethyl)-4-oxo-2-thioxo-thiazolidin-5-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[2-[3-(furan-3-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID 1658350