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

Systemtic Name: 2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-ethoxycarbonylanilino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(4-carbethoxyanilino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H18N3O4S- MolecularWeight: 408.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-2-28-20(27)15-8-10-16(11-9-15)22-19(26)13-29-21-23-17(12-18(25)24-21)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,22,26)(H,23,24,25)/p-1