[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C18H17NO6S MolecularWeight: 375.39568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S/c1-11(17(20)12-4-7-14(24-2)8-5-12)25-18(21)13-6-9-16(26-3)15(10-13)19(22)23/h4-11H,1-3H3/t11-/m1/s1