[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H15FN2O6S2 MolecularWeight: 462.471303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN2O6S2/c1-11-10-30-20(22-11)31-18-6-4-13(23(26)27)8-14(18)19(25)29-9-16(24)12-3-5-17(28-2)15(21)7-12/h3-8,10H,9H2,1-2H3