(4-nitrophenyl)methyl (2E)-2-(3-methoxy-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-methyl-4-oxidanyl-1,3-dithiolan-2-ylidene)ethanoate

Systemtic Name: (4-nitrophenyl)methyl (2E)-2-(3-methoxy-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-methyl-4-oxidanyl-1,3-dithiolan-2-ylidene)ethanoate Openeye Name: (4-nitrophenyl)methyl (2E)-2-(4-hydroxy-4-methyl-1,3-dithiolan-2-ylidene)-2-(3-methoxy-2-methylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: (2E)-2-(4-hydroxy-4-methyl-1,3-dithiolan-2-ylidene)-2-[3-methoxy-2-(methylthio)-4-oxo-1-azetidinyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2E)-2-(4-hydroxy-4-methyl-1,3-dithiolan-2-ylidene)-2-(3-methoxy-2-methylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: (2E)-2-(4-hydroxy-4-methyl-1,3-dithiolan-2-ylidene)-2-[2-keto-3-methoxy-4-(methylthio)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C18H20N2O7S3 MolecularWeight: 472.5556

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC(=C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(C(C3=O)OC)SC)S1)O

Isomeric SMILES

CC1(CS/C(=C(/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])\N3C(C(C3=O)OC)SC)/S1)O

InChI

InChI=1S/C18H20N2O7S3/c1-18(23)9-29-17(30-18)12(19-14(21)13(26-2)15(19)28-3)16(22)27-8-10-4-6-11(7-5-10)20(24)25/h4-7,13,15,23H,8-9H2,1-3H3/b17-12+