2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyrimidin-4-olate Openeye Name: 2-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-(2-thienyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]-6-thiophen-2-yl-4-pyrimidinolate IUPAC Name: 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyrimidin-4-olate Traditional Name: 2-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]-6-(2-thienyl)pyrimidin-4-olate Formula: C18H14N3O4S2- MolecularWeight: 400.45146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CS3

InChI

InChI=1S/C18H15N3O4S2/c1-25-17(24)11-4-6-12(7-5-11)19-16(23)10-27-18-20-13(9-15(22)21-18)14-3-2-8-26-14/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)/p-1