2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetate IUPAC Name: 2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S/c1-11-7-8-12(2)15(9-11)20-17(23)13-5-3-4-6-14(13)19-18(20)24-10-16(21)22/h3-9H,10H2,1-2H3,(H,21,22)/p-1