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

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]butanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OC)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OC)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C25H26N2O4S2/c1-5-21(33-19-8-6-7-18(13-19)26-16(3)28)23(29)27-24-22(25(30)31-4)20(14-32-24)17-11-9-15(2)10-12-17/h6-14,21H,5H2,1-4H3,(H,26,28)(H,27,29)