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

Systemtic Name: (2-oxidanylideneoxolan-3-yl) 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-oxotetrahydrofuran-3-yl) 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-oxo-3-oxolanyl) ester IUPAC Name: (2-oxooxolan-3-yl) 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid (2-ketotetrahydrofuran-3-yl) ester Formula: C16H17ClN2O7S MolecularWeight: 416.83338

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1CCOC1=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSCCC(C(=O)OC1CCOC1=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN2O7S/c1-27-7-5-12(15(21)26-13-4-6-25-16(13)22)18-14(20)10-3-2-9(19(23)24)8-11(10)17/h2-3,8,12-13H,4-7H2,1H3,(H,18,20)