ethyl 4-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2,5-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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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