methyl 2-[(4-azanyl-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-azanyl-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-amino-3-phenyl-2-thioxo-thiazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-amino-3-phenyl-2-sulfanylidene-5-thiazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-amino-3-phenyl-2-thioxo-4-thiazoline-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C(=S)S3)C4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C(=S)S3)C4=CC=CC=C4)N

InChI

InChI=1S/C20H19N3O3S3/c1-26-19(25)14-12-9-5-6-10-13(12)28-18(14)22-17(24)15-16(21)23(20(27)29-15)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10,21H2,1H3,(H,22,24)