2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetate IUPAC Name: 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]acetate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c1-11-6-8-12(9-7-11)19-16(22)13-4-2-3-5-14(13)18-17(19)23-10-15(20)21/h2-9H,10H2,1H3,(H,20,21)/p-1