2-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(7-chloro-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(7-chloro-3-ethyl-4-oxo-2-quinazolinyl)thio]acetate IUPAC Name: 2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(7-chloro-3-ethyl-4-keto-quinazolin-2-yl)thio]acetate Formula: C12H10ClN2O3S- MolecularWeight: 297.7374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O3S/c1-2-15-11(18)8-4-3-7(13)5-9(8)14-12(15)19-6-10(16)17/h3-5H,2,6H2,1H3,(H,16,17)/p-1