(2-nitrophenyl)methyl (2S)-2-[(4-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-nitrophenyl)methyl (2S)-2-[(4-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-nitrophenyl)methyl (2S)-2-[(4-bromobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (2S)-2-[(4-bromobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-4-(methylthio)butyric acid (2-nitrobenzyl) ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H19BrN2O5S/c1-28-11-10-16(21-18(23)13-6-8-15(20)9-7-13)19(24)27-12-14-4-2-3-5-17(14)22(25)26/h2-9,16H,10-12H2,1H3,(H,21,23)/t16-/m0/s1