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

Systemtic Name: ethyl 4-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-3-26-19(24)13-8-14-27-21-22-17-11-6-5-10-16(17)20(25)23(21)18-12-7-4-9-15(18)2/h4-7,9-12H,3,8,13-14H2,1-2H3