4-[2-[[6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoate

Systemtic Name: 4-[2-[[6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[[4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]ethoxy]benzoate Formula: C20H17N2O5S- MolecularWeight: 397.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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