butyl 2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]acetic acid butyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC(=C3)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C21H21ClN2O3S/c1-3-4-10-27-19(25)13-28-21-23-18-12-15(22)8-9-17(18)20(26)24(21)16-7-5-6-14(2)11-16/h5-9,11-12H,3-4,10,13H2,1-2H3