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benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-imino-4-oxo-3-thiazolidinyl)-, methyl ester
SpectraBase Compound ID 7fBpxD28xKU
InChI InChI=1S/C13H14N2O3S2/c1-18-12(17)10-7-4-2-3-5-8(7)20-11(10)15-9(16)6-19-13(15)14/h14H,2-6H2,1H3
InChIKey OWSRQWZWMNGHMW-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C13H14N2O3S2
Exact Mass 310.044585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID posTEXtlA
Name 2-(2-imino-4-keto-thiazolidin-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
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Formula C13H14N2O3S2
InChI InChI=1S/C13H14N2O3S2/c1-18-12(17)10-7-4-2-3-5-8(7)20-11(10)15-9(16)6-19-13(15)14/h14H,2-6H2,1H3
InChIKey OWSRQWZWMNGHMW-UHFFFAOYSA-N
Molecular Weight 310.386 g/mol
SMILES N=C1N(c2c(c3CCCCc3s2)C(=O)OC)C(CS1)=O
SPLASH splash10-0gxy-9731000000-87fe9340c454b82f7aa1
Synonyms 2-(2-imino-4-oxo-3-thiazolidinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester Methyl 2-(2-azanylidene-4-oxidanylidene-1,3-thiazolidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-(2-imino-4-oxo-1,3-thiazolidin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Methyl 2-(2-imino-4-oxo-thiazolidin-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Wiley ID 1453565