[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-2-thiophenecarboxylic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)thiophene-2-carboxylic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO3S/c1-13-4-3-5-14(2)20(13)23-19(24)12-26-21(25)18-11-10-17(27-18)15-6-8-16(22)9-7-15/h3-11H,12H2,1-2H3,(H,23,24)