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

Systemtic Name: methyl 4-(4-chlorophenyl)-2-[(3,4-dimethylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-[(3,4-dimethylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-[(3,4-dimethylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[(3,4-dimethylbenzoyl)amino]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)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C(=O)OC)C

InChI

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