2-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(3,5-dicarbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H20N3O6S2- MolecularWeight: 438.4979

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S2/c1-5-26-16(24)13-10(4)14(17(25)27-6-2)29-15(13)20-12(23)8-28-18-19-9(3)7-11(22)21-18/h7H,5-6,8H2,1-4H3,(H,20,23)(H,19,21,22)/p-1