6-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(4-carbethoxyanilino)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]pyrimidin-4-olate Formula: C22H19FN3O4S- MolecularWeight: 440.467363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C22H20FN3O4S/c1-2-30-21(29)15-5-9-17(10-6-15)24-19(27)11-18-12-20(28)26-22(25-18)31-13-14-3-7-16(23)8-4-14/h3-10,12H,2,11,13H2,1H3,(H,24,27)(H,25,26,28)/p-1