[2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-(methylthio)butyric acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C16H20ClN3O6S MolecularWeight: 417.8645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C(CCSC)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN3O6S/c1-19(2)14(21)9-26-16(23)12(6-7-27-3)18-15(22)10-4-5-11(17)13(8-10)20(24)25/h4-5,8,12H,6-7,9H2,1-3H3,(H,18,22)/t12-/m0/s1