(2-nitrophenyl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-nitrophenyl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-nitrophenyl)methyl (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid (2-nitrobenzyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CCSC)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-14-6-5-8-15(12-14)19(23)21-17(10-11-28-2)20(24)27-13-16-7-3-4-9-18(16)22(25)26/h3-9,12,17H,10-11,13H2,1-2H3,(H,21,23)/t17-/m0/s1