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

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C21H21ClN2O7S MolecularWeight: 480.91864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC(=O)[C@H](CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN2O7S/c1-30-19-6-4-3-5-15(19)18(25)12-31-21(27)17(9-10-32-2)23-20(26)14-8-7-13(24(28)29)11-16(14)22/h3-8,11,17H,9-10,12H2,1-2H3,(H,23,26)/t17-/m0/s1