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

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H16FN3O6S MolecularWeight: 409.388843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])NC(=O)C)C

InChI

InChI=1S/C17H16FN3O6S/c1-8-9(2)28-16(19-10(3)22)15(8)17(24)27-7-14(23)20-12-5-4-11(18)6-13(12)21(25)26/h4-6H,7H2,1-3H3,(H,19,22)(H,20,23)