methyl 4-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H17BrN2O3S/c1-3-22-17(23)15-10-14(20)8-9-16(15)21-19(22)26-11-12-4-6-13(7-5-12)18(24)25-2/h4-10H,3,11H2,1-2H3