[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=C(C=CS2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=C(C=CS2)C3=CC=CC=C3)C

InChI

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