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

Systemtic Name: 4-[[6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-keto-6-(3-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=CC(=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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