3-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c1-25-15-7-5-13(6-8-15)16-10-17(22)21-19(20-16)26-11-12-3-2-4-14(9-12)18(23)24/h2-10H,11H2,1H3,(H,23,24)(H,20,21,22)