[(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanylbenzoate

Systemtic Name: [(2S)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfanylbenzoate Openeye Name: [(1S)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(1S)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-11(26-18(22)12-4-7-14(27-3)8-5-12)17(21)19-15-10-13(20(23)24)6-9-16(15)25-2/h4-11H,1-3H3,(H,19,21)/t11-/m0/s1