(4-nitrophenyl)methyl 2-(3-methoxy-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-methoxy-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(3-methoxy-2-methylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: 2-[3-methoxy-2-(methylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-methoxy-2-methylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: 2-[2-keto-3-methoxy-4-(methylthio)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(N(C1=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

COC1C(N(C1=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C14H16N2O6S/c1-21-12-13(18)15(14(12)23-2)7-11(17)22-8-9-3-5-10(6-4-9)16(19)20/h3-6,12,14H,7-8H2,1-2H3