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

Systemtic Name: 4-[2-[[6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[[6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[[4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]ethoxy]benzoic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O5S/c1-26-15-6-2-13(3-7-15)17-12-18(23)22-20(21-17)28-11-10-27-16-8-4-14(5-9-16)19(24)25/h2-9,12H,10-11H2,1H3,(H,24,25)(H,21,22,23)