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

Systemtic Name: ethyl 4-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3C)C

InChI

InChI=1S/C22H24N2O3S/c1-4-27-20(25)13-8-14-28-22-23-18-11-6-5-10-17(18)21(26)24(22)19-12-7-9-15(2)16(19)3/h5-7,9-12H,4,8,13-14H2,1-3H3