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

Systemtic Name: 2-oxidanylidenepropyl (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: acetonyl (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-oxopropyl ester IUPAC Name: 2-oxopropyl (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid acetonyl ester Formula: C15H17ClN2O6S MolecularWeight: 388.82328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H17ClN2O6S/c1-9(19)8-24-15(21)13(5-6-25-2)17-14(20)11-4-3-10(18(22)23)7-12(11)16/h3-4,7,13H,5-6,8H2,1-2H3,(H,17,20)/t13-/m0/s1