(4-nitrophenyl)methyl (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-nitrophenyl)methyl (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(o-anisoylamino)butyric acid (4-nitrobenzyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@H](CCSC)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-27-18-6-4-3-5-16(18)19(23)21-17(11-12-29-2)20(24)28-13-14-7-9-15(10-8-14)22(25)26/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m1/s1