1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H17BrN2O3S/c1-11-9-13(20)7-8-16(11)26-10-17(23)25-12(2)18-21-15-6-4-3-5-14(15)19(24)22-18/h3-9,12H,10H2,1-2H3,(H,21,22,24)