ethyl 4-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C)OC

InChI

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