(4-methylsulfanylphenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid [4-(methylthio)benzyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5S/c1-11(18(23)26-10-12-3-6-14(27-2)7-4-12)20-17(22)13-5-8-15(19)16(9-13)21(24)25/h3-9,11H,10H2,1-2H3,(H,20,22)/t11-/m0/s1