[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-fluorophenyl)-4-methyl-5-thiazolecarboxylic acid [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-fluorophenyl)-4-methyl-thiazole-5-carboxylic acid [2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H18FN3O6S MolecularWeight: 459.447523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18FN3O6S/c1-11-18(32-20(23-11)13-4-6-14(22)7-5-13)21(27)31-12(2)19(26)24-16-9-8-15(30-3)10-17(16)25(28)29/h4-10,12H,1-3H3,(H,24,26)