[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H16ClFN2O4S MolecularWeight: 398.836343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)NC(=O)C)C

InChI

InChI=1S/C17H16ClFN2O4S/c1-8-9(2)26-16(20-10(3)22)15(8)17(24)25-7-14(23)21-11-4-5-13(19)12(18)6-11/h4-6H,7H2,1-3H3,(H,20,22)(H,21,23)