methyl (2S)-2-[[2-(2-methoxyphenyl)-4-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-(2-methoxyphenyl)-4-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(2-methoxyphenyl)-4-nitro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(2-methoxyphenyl)-4-nitrophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-methoxyphenyl)-4-nitrobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(2-methoxyphenyl)-4-nitro-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C20H22N2O6S/c1-27-18-7-5-4-6-14(18)16-12-13(22(25)26)8-9-15(16)19(23)21-17(10-11-29-3)20(24)28-2/h4-9,12,17H,10-11H2,1-3H3,(H,21,23)/t17-/m0/s1