2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate

Systemtic Name: 2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Openeye Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-(p-tolylsulfanylmethyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-ethoxycarbonylanilino)-2-oxoethyl]thio]-6-[[(4-methylphenyl)thio]methyl]-4-pyrimidinolate IUPAC Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-olate Traditional Name: 2-[[2-(4-carbethoxyanilino)-2-keto-ethyl]thio]-6-[(p-tolylthio)methyl]pyrimidin-4-olate Formula: C23H22N3O4S2- MolecularWeight: 468.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)[O-])CSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H23N3O4S2/c1-3-30-22(29)16-6-8-17(9-7-16)24-21(28)14-32-23-25-18(12-20(27)26-23)13-31-19-10-4-15(2)5-11-19/h4-12H,3,13-14H2,1-2H3,(H,24,28)(H,25,26,27)/p-1