(2-chlorophenyl)methyl (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-chlorophenyl)methyl (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-chlorophenyl)methyl (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-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid (2-chlorobenzyl) ester Formula: C19H18Cl2N2O5S MolecularWeight: 457.32762

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1Cl)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=CC=CC=C1Cl)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18Cl2N2O5S/c1-29-9-8-17(19(25)28-11-12-4-2-3-5-15(12)20)22-18(24)14-7-6-13(23(26)27)10-16(14)21/h2-7,10,17H,8-9,11H2,1H3,(H,22,24)/t17-/m0/s1