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

Systemtic Name: 2-(3-ethyl-6-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(3-ethyl-6-methyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-ethyl-6-methyl-4-oxo-2-quinazolinyl)thio]acetate IUPAC Name: 2-(3-ethyl-6-methyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-ethyl-4-keto-6-methyl-quinazolin-2-yl)thio]acetate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)C)N=C1SCC(=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)C)N=C1SCC(=O)[O-]

InChI

InChI=1S/C13H14N2O3S/c1-3-15-12(18)9-6-8(2)4-5-10(9)14-13(15)19-7-11(16)17/h4-6H,3,7H2,1-2H3,(H,16,17)/p-1