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

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxopropyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]propanoylamino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(C)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C24H24N2O4S2/c1-14-8-10-17(11-9-14)20-13-31-23(21(20)24(29)30-4)26-22(28)15(2)32-19-7-5-6-18(12-19)25-16(3)27/h5-13,15H,1-4H3,(H,25,27)(H,26,28)