(4-ethoxyphenyl) 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: (4-ethoxyphenyl) 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: (4-ethoxyphenyl) 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetic acid p-phenetyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H20N2O4S/c1-3-13-23-20(25)17-7-5-6-8-18(17)22-21(23)28-14-19(24)27-16-11-9-15(10-12-16)26-4-2/h3,5-12H,1,4,13-14H2,2H3