2-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[(3,5-dicarbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C17H18N3O6S2- MolecularWeight: 424.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C17H19N3O6S2/c1-4-25-15(23)12-9(3)13(16(24)26-5-2)28-14(12)19-11(22)8-27-17-18-7-6-10(21)20-17/h6-7H,4-5,8H2,1-3H3,(H,19,22)(H,18,20,21)/p-1