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

Systemtic Name: 2-[2-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H18N3O6S2- MolecularWeight: 472.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O6S2/c1-11-16(19(27)29-2)18(32-17(11)20(28)30-3)23-15(26)10-31-21-22-13(9-14(25)24-21)12-7-5-4-6-8-12/h4-9H,10H2,1-3H3,(H,23,26)(H,22,24,25)/p-1