(4-nitrophenyl)methyl 2-chloranyl-2-(3-ethyl-2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-chloranyl-2-(3-ethyl-2-ethylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-chloro-2-(3-ethyl-2-ethylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: 2-chloro-2-[3-ethyl-2-(ethylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-chloro-2-(3-ethyl-2-ethylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: 2-chloro-2-[3-ethyl-2-(ethylthio)-4-keto-azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C16H19ClN2O5S MolecularWeight: 386.85046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)SCC

Isomeric SMILES

CCC1C(N(C1=O)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)SCC

InChI

InChI=1S/C16H19ClN2O5S/c1-3-12-14(20)18(15(12)25-4-2)13(17)16(21)24-9-10-5-7-11(8-6-10)19(22)23/h5-8,12-13,15H,3-4,9H2,1-2H3