[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [(1S)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O5S/c1-11-8-12(2)18(13(3)9-11)21-19(23)14(4)27-20(24)15-6-7-17(28-5)16(10-15)22(25)26/h6-10,14H,1-5H3,(H,21,23)/t14-/m0/s1