1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)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-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H19BrN2O3S/c1-11-9-17(12(2)8-15(11)21)27-10-18(24)26-13(3)19-22-16-7-5-4-6-14(16)20(25)23-19/h4-9,13H,10H2,1-3H3,(H,22,23,25)