ethyl 4-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]butyric acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)OCC

InChI

InChI=1S/C22H24N2O4S/c1-3-27-17-13-11-16(12-14-17)24-21(26)18-8-5-6-9-19(18)23-22(24)29-15-7-10-20(25)28-4-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3