methyl 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetic acid methyl ester Formula: C13H13BrN2O3S MolecularWeight: 357.22292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)OC

InChI

InChI=1S/C13H13BrN2O3S/c1-3-16-12(18)9-6-8(14)4-5-10(9)15-13(16)20-7-11(17)19-2/h4-6H,3,7H2,1-2H3