methyl 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-25-16-9-8-13(10-17(16)26-2)11-22-19(24)14-6-4-5-7-15(14)21-20(22)28-12-18(23)27-3/h4-10H,11-12H2,1-3H3