[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H15FN4O5S MolecularWeight: 394.377503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C16H15FN4O5S/c1-3-6-18-16-20-12(8-27-16)15(23)26-9(2)14(22)19-10-4-5-11(17)13(7-10)21(24)25/h3-5,7-9H,1,6H2,2H3,(H,18,20)(H,19,22)