2-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(3,5-dicarbomethoxyanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C22H18N3O6S- MolecularWeight: 452.45982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H19N3O6S/c1-30-20(28)14-8-15(21(29)31-2)10-16(9-14)23-19(27)12-32-22-24-17(11-18(26)25-22)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25,26)/p-1