2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetate IUPAC Name: 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetate Formula: C16H11N2O3S- MolecularWeight: 311.33514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[O-]

InChI

InChI=1S/C16H12N2O3S/c19-14(20)10-22-16-17-13-9-5-4-8-12(13)15(21)18(16)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)/p-1