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

Systemtic Name: butyl 2-[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[3-[(4-chlorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(4-chlorobenzyl)-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)N1CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl

InChI

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