[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H15ClFNO3S MolecularWeight: 403.854403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H15ClFNO3S/c1-12-2-4-13(5-3-12)15-8-9-27-19(15)20(25)26-11-18(24)23-14-6-7-17(22)16(21)10-14/h2-10H,11H2,1H3,(H,23,24)