methyl (2R)-2-[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[2-(dimethylamino)-5-nitro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(dimethylamino)-5-nitrobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[2-(dimethylamino)-5-nitro-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H21N3O5S MolecularWeight: 355.40934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C15H21N3O5S/c1-17(2)13-6-5-10(18(21)22)9-11(13)14(19)16-12(7-8-24-4)15(20)23-3/h5-6,9,12H,7-8H2,1-4H3,(H,16,19)/t12-/m1/s1