2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetate IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)[O-]

InChI

InChI=1S/C12H12N2O3S/c1-7-3-4-9-8(5-7)11(17)14(2)12(13-9)18-6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)/p-1