methyl 2-[2-(3-acetamidophenyl)sulfanylethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(3-acetamidophenyl)thio]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C23H22N2O4S2/c1-14-7-9-16(10-8-14)19-12-31-22(21(19)23(28)29-3)25-20(27)13-30-18-6-4-5-17(11-18)24-15(2)26/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27)