2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[(3-homoveratryl-4-keto-quinazolin-2-yl)thio]acetic acid Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)O)OC

InChI

InChI=1S/C20H20N2O5S/c1-26-16-8-7-13(11-17(16)27-2)9-10-22-19(25)14-5-3-4-6-15(14)21-20(22)28-12-18(23)24/h3-8,11H,9-10,12H2,1-2H3,(H,23,24)