methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]-5-[anilino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C30H27N3O5S2 MolecularWeight: 573.68248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C30H27N3O5S2/c1-18-24(30(37)38-3)29(40-25(18)27(35)32-21-13-8-5-9-14-21)33-28(36)26(20-11-6-4-7-12-20)39-23-16-10-15-22(17-23)31-19(2)34/h4-17,26H,1-3H3,(H,31,34)(H,32,35)(H,33,36)