[1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C18H18ClFN2O4S MolecularWeight: 412.862923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClFN2O4S/c1-8-10(3)27-17(21-11(4)23)15(8)18(25)26-9(2)16(24)22-12-5-6-14(20)13(19)7-12/h5-7,9H,1-4H3,(H,21,23)(H,22,24)