[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-fluorophenyl)methylthio]acetic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-fluorobenzyl)thio]acetic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C18H17FN2O6S MolecularWeight: 408.400783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CSCC2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CSCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FN2O6S/c1-26-16-8-14(21(24)25)6-7-15(16)20-17(22)9-27-18(23)11-28-10-12-2-4-13(19)5-3-12/h2-8H,9-11H2,1H3,(H,20,22)