(4-nitrophenyl)methyl 2-chloranyl-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-chloranyl-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-chloro-2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: 2-chloro-2-[2-(methylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-chloro-2-(2-methylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: 2-chloro-2-[2-keto-4-(methylthio)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C13H13ClN2O5S MolecularWeight: 344.77072

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1CC(=O)N1C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN2O5S/c1-22-11-6-10(17)15(11)12(14)13(18)21-7-8-2-4-9(5-3-8)16(19)20/h2-5,11-12H,6-7H2,1H3