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

Systemtic Name: ethyl 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-28-19(24)13-29-21-22-16-8-6-5-7-15(16)20(25)23(21)12-14-9-10-17(26-2)18(11-14)27-3/h5-11H,4,12-13H2,1-3H3