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

Systemtic Name: 2-[2-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H16N3O6S2- MolecularWeight: 410.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)[O-]

InChI

InChI=1S/C16H17N3O6S2/c1-7-5-9(20)19-16(17-7)26-6-10(21)18-13-11(14(22)24-3)8(2)12(27-13)15(23)25-4/h5H,6H2,1-4H3,(H,18,21)(H,17,19,20)/p-1