methyl (2S)-2-[[2-(3,5-dimethylphenyl)-4-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-(3,5-dimethylphenyl)-4-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(3,5-dimethylphenyl)-4-nitro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(3,5-dimethylphenyl)-4-nitrophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(3,5-dimethylphenyl)-4-nitrobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(3,5-dimethylphenyl)-4-nitro-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-13-9-14(2)11-15(10-13)18-12-16(23(26)27)5-6-17(18)20(24)22-19(7-8-29-4)21(25)28-3/h5-6,9-12,19H,7-8H2,1-4H3,(H,22,24)/t19-/m0/s1