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

Systemtic Name: 2-[2-[[2,5-bis(methoxycarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2,5-dicarbomethoxyanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H16N3O6S- MolecularWeight: 390.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-9-6-13(21)20-17(18-9)27-8-14(22)19-12-7-10(15(23)25-2)4-5-11(12)16(24)26-3/h4-7H,8H2,1-3H3,(H,19,22)(H,18,20,21)/p-1