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

Systemtic Name: ethyl 2-[2-(3-acetamidophenyl)sulfanylbutanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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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)OCC)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4S2/c1-5-22(34-20-9-7-8-19(14-20)27-17(4)29)24(30)28-25-23(26(31)32-6-2)21(15-33-25)18-12-10-16(3)11-13-18/h7-15,22H,5-6H2,1-4H3,(H,27,29)(H,28,30)