[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C19H14FN3O6S MolecularWeight: 431.394363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H14FN3O6S/c20-12-3-1-11(2-4-12)15(24)7-8-18(26)29-10-17(25)22-19-21-14-6-5-13(23(27)28)9-16(14)30-19/h1-6,9H,7-8,10H2,(H,21,22,25)