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

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[(2-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-(o-toluoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H20ClNO3S/c1-4-27-22(26)19-18(15-9-11-16(23)12-10-15)14(3)28-21(19)24-20(25)17-8-6-5-7-13(17)2/h5-12H,4H2,1-3H3,(H,24,25)