butyl 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-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=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C

InChI

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