(4-nitrophenyl)methyl 2-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)pent-4-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-oxidanylidene-4-prop-2-enylsulfanyl-azetidin-1-yl)pent-4-enoate Openeye Name: (4-nitrophenyl)methyl 2-(2-allylsulfanyl-4-oxo-azetidin-1-yl)pent-4-enoate CAS Name: 2-[2-oxo-4-(prop-2-enylthio)-1-azetidinyl]-4-pentenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-oxo-4-prop-2-enylsulfanylazetidin-1-yl)pent-4-enoate Traditional Name: 2-[2-(allylthio)-4-keto-azetidin-1-yl]pent-4-enoic acid (4-nitrobenzyl) ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)SCC=C

Isomeric SMILES

C=CCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)SCC=C

InChI

InChI=1S/C18H20N2O5S/c1-3-5-15(19-16(21)11-17(19)26-10-4-2)18(22)25-12-13-6-8-14(9-7-13)20(23)24/h3-4,6-9,15,17H,1-2,5,10-12H2