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

Systemtic Name: (4-nitrophenyl)methyl (2E)-2-(4-methyl-4-oxidanyl-1,3-dithiolan-2-ylidene)-2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)ethanoate Openeye Name: (4-nitrophenyl)methyl (2E)-2-(4-hydroxy-4-methyl-1,3-dithiolan-2-ylidene)-2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)acetate CAS Name: (2E)-2-(4-hydroxy-4-methyl-1,3-dithiolan-2-ylidene)-2-[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-(2-methylsulfanyl-4-oxoazetidin-1-yl)acetate Traditional Name: (2E)-2-(4-hydroxy-4-methyl-1,3-dithiolan-2-ylidene)-2-[2-keto-4-(methylthio)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C17H18N2O6S3 MolecularWeight: 442.52962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC(=C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(CC3=O)SC)S1)O

Isomeric SMILES

CC1(CS/C(=C(/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])\N3C(CC3=O)SC)/S1)O

InChI

InChI=1S/C17H18N2O6S3/c1-17(22)9-27-16(28-17)14(18-12(20)7-13(18)26-2)15(21)25-8-10-3-5-11(6-4-10)19(23)24/h3-6,13,22H,7-9H2,1-2H3/b16-14+