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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(methylamino)-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-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-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-keto-2-(methylamino)ethyl] ester Formula: C15H18ClN3O6S MolecularWeight: 403.83792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O6S/c1-17-13(20)8-25-15(22)11(5-6-26-2)18-14(21)9-3-4-10(16)12(7-9)19(23)24/h3-4,7,11H,5-6,8H2,1-2H3,(H,17,20)(H,18,21)/t11-/m0/s1