2-[4-oxidanylidene-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[3-(4-benzyloxyphenyl)-4-oxo-2-thioxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-oxo-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[4-oxo-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[3-(4-benzoxyphenyl)-4-keto-2-thioxo-1H-pyrimidin-5-yl]acetic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C(=CNC3=S)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C(=CNC3=S)CC(=O)O

InChI

InChI=1S/C19H16N2O4S/c22-17(23)10-14-11-20-19(26)21(18(14)24)15-6-8-16(9-7-15)25-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,20,26)(H,22,23)