methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 5-[(3-chloroanilino)-oxomethyl]-4-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-[(3-chlorophenyl)carbamoyl]-4-methyl-2-(p-toluoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC(=CC=C3)Cl)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC(=CC=C3)Cl)C)C(=O)OC

InChI

InChI=1S/C22H19ClN2O4S/c1-12-7-9-14(10-8-12)19(26)25-21-17(22(28)29-3)13(2)18(30-21)20(27)24-16-6-4-5-15(23)11-16/h4-11H,1-3H3,(H,24,27)(H,25,26)