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

Systemtic Name: ethyl 4-[3-(5-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(5-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: 4-[[3-(5-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: 4-[[3-(5-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]butyric acid ethyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3S/c1-3-27-19(25)9-6-12-28-21-23-17-8-5-4-7-16(17)20(26)24(21)18-13-15(22)11-10-14(18)2/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3