[(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [(1R)-2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17FN2O6S MolecularWeight: 408.400783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)CSC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)CSC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H17FN2O6S/c1-11(18(23)20-12-3-8-15(19)16(9-12)21(24)25)27-17(22)10-28-14-6-4-13(26-2)5-7-14/h3-9,11H,10H2,1-2H3,(H,20,23)/t11-/m1/s1