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

Systemtic Name: [(2S)-1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate Openeye Name: [(1S)-2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [(1S)-2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=CC=C2SC

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C17H15ClN2O5S/c1-10(25-17(22)12-5-3-4-6-15(12)26-2)16(21)19-14-9-11(20(23)24)7-8-13(14)18/h3-10H,1-2H3,(H,19,21)/t10-/m0/s1