phenyl (2R)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: phenyl (2R)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: phenyl (2R)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid phenyl ester IUPAC Name: phenyl (2R)-2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-chloro-3-nitro-benzoyl)amino]-4-(methylthio)butyric acid phenyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)OC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c1-27-10-9-15(18(23)26-13-5-3-2-4-6-13)20-17(22)12-7-8-14(19)16(11-12)21(24)25/h2-8,11,15H,9-10H2,1H3,(H,20,22)/t15-/m1/s1