dimethyl (E)-2-dimethoxyphosphoryl-3-[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-dimethoxyphosphoryl-3-[C-methylsulfanyl-N-(phenylcarbonyl)carbonimidoyl]but-2-enedioate Openeye Name: dimethyl (E)-2-(N-benzoyl-C-methylsulfanyl-carbonimidoyl)-3-dimethoxyphosphoryl-but-2-enedioate CAS Name: (E)-2-[benzoylimino-(methylthio)methyl]-3-dimethoxyphosphoryl-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(N-benzoyl-C-methylsulfanylcarbonimidoyl)-3-dimethoxyphosphorylbut-2-enedioate Traditional Name: (E)-2-[N-benzoyl-C-(methylthio)carbonimidoyl]-3-dimethoxyphosphoryl-but-2-enedioic acid dimethyl ester Formula: C17H20NO8PS MolecularWeight: 429.381361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OC)P(=O)(OC)OC)C(=NC(=O)C1=CC=CC=C1)SC

Isomeric SMILES

COC(=O)/C(=C(/C(=O)OC)\P(=O)(OC)OC)/C(=NC(=O)C1=CC=CC=C1)SC

InChI

InChI=1S/C17H20NO8PS/c1-23-16(20)12(13(17(21)24-2)27(22,25-3)26-4)15(28-5)18-14(19)11-9-7-6-8-10-11/h6-10H,1-5H3/b13-12-,18-15?