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

Systemtic Name: (4-nitrophenyl)methyl (2E)-2-(3-methoxy-2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-2-(4-oxidanylidene-1,3-dithiolan-2-ylidene)ethanoate Openeye Name: (4-nitrophenyl)methyl (2E)-2-(3-methoxy-2-methylsulfanyl-4-oxo-azetidin-1-yl)-2-(4-oxo-1,3-dithiolan-2-ylidene)acetate CAS Name: (2E)-2-[3-methoxy-2-(methylthio)-4-oxo-1-azetidinyl]-2-(4-oxo-1,3-dithiolan-2-ylidene)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2E)-2-(3-methoxy-2-methylsulfanyl-4-oxoazetidin-1-yl)-2-(4-oxo-1,3-dithiolan-2-ylidene)acetate Traditional Name: (2E)-2-(4-keto-1,3-dithiolan-2-ylidene)-2-[2-keto-3-methoxy-4-(methylthio)azetidin-1-yl]acetic acid (4-nitrobenzyl) ester Formula: C17H16N2O7S3 MolecularWeight: 456.51314

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(N(C1=O)C(=C2SCC(=O)S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC

Isomeric SMILES

COC1C(N(C1=O)/C(=C/2\SCC(=O)S2)/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C17H16N2O7S3/c1-25-13-14(21)18(15(13)27-2)12(17-28-8-11(20)29-17)16(22)26-7-9-3-5-10(6-4-9)19(23)24/h3-6,13,15H,7-8H2,1-2H3/b17-12+