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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC)[O-]

InChI

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