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

Systemtic Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C29H26N2O4S2 MolecularWeight: 530.65774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C

InChI

InChI=1S/C29H26N2O4S2/c1-18-12-14-20(15-13-18)24-17-36-28(25(24)29(34)35-3)31-27(33)26(21-8-5-4-6-9-21)37-23-11-7-10-22(16-23)30-19(2)32/h4-17,26H,1-3H3,(H,30,32)(H,31,33)