[(2E)-6-(methoxycarbonylamino)-2-methoxycarbonylimino-1-oxidanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2E)-6-(methoxycarbonylamino)-2-methoxycarbonylimino-1-oxidanyl-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [(2E)-1-hydroxy-6-(methoxycarbonylamino)-2-methoxycarbonylimino-pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2E)-1-hydroxy-6-(methoxycarbonylamino)-2-methoxycarbonylimino-4-pyrimidinyl] ester IUPAC Name: [(2E)-1-hydroxy-6-(methoxycarbonylamino)-2-methoxycarbonyliminopyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2E)-6-(carbomethoxyamino)-2-carbomethoxyimino-1-hydroxy-pyrimidin-4-yl] ester Formula: C15H16N4O8S MolecularWeight: 412.37454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=O)OC)N(C(=C2)NC(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=N/C(=N\C(=O)OC)/N(C(=C2)NC(=O)OC)O

InChI

InChI=1S/C15H16N4O8S/c1-9-4-6-10(7-5-9)28(23,24)27-12-8-11(16-14(20)25-2)19(22)13(17-12)18-15(21)26-3/h4-8,22H,1-3H3,(H,16,20)/b18-13+