[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C19H13FN2O5S2 MolecularWeight: 432.445323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H13FN2O5S2/c1-11-10-28-19(21-11)29-17-7-4-13(8-15(17)22(25)26)18(24)27-9-16(23)12-2-5-14(20)6-3-12/h2-8,10H,9H2,1H3