methyl 2-[(3-chlorophenyl)carbonylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-chlorophenyl)carbonylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO3S/c1-12-7-8-14(9-13(12)2)17-11-27-20(18(17)21(25)26-3)23-19(24)15-5-4-6-16(22)10-15/h4-11H,1-3H3,(H,23,24)