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

Systemtic Name: [(2R)-1-[(2-methylsulfanylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2R)-1-[2-(methylthio)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylsulfanylanilino)-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S2/c1-11(17(21)19-13-6-4-5-7-15(13)26-2)25-18(22)12-8-9-16(27-3)14(10-12)20(23)24/h4-11H,1-3H3,(H,19,21)/t11-/m1/s1