methyl 2-[2-(4-oxidanylidene-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-oxidanylidene-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-oxo-3-phenyl-2-phenylimino-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-oxo-3-phenyl-2-phenylimino-5-thiazolidinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-keto-3-phenyl-2-phenylimino-thiazolidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)N(C(=NC4=CC=CC=C4)S3)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3C(=O)N(C(=NC4=CC=CC=C4)S3)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S2/c1-34-26(33)23-19-14-8-9-15-20(19)35-24(23)29-22(31)16-21-25(32)30(18-12-6-3-7-13-18)27(36-21)28-17-10-4-2-5-11-17/h2-7,10-13,21H,8-9,14-16H2,1H3,(H,29,31)