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

Systemtic Name: butyl 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]acetic acid butyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H26N2O5S/c1-4-5-12-30-21(26)15-31-23-24-18-9-7-6-8-17(18)22(27)25(23)14-16-10-11-19(28-2)20(13-16)29-3/h6-11,13H,4-5,12,14-15H2,1-3H3