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

Systemtic Name: 2-(4-oxidanylidene-3-pentan-3-yl-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-[3-(1-ethylpropyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[(4-oxo-3-pentan-3-yl-2-quinazolinyl)thio]acetate IUPAC Name: 2-(4-oxo-3-pentan-3-ylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[[3-(1-ethylpropyl)-4-keto-quinazolin-2-yl]thio]acetate Formula: C15H17N2O3S- MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

CCC(CC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)[O-]

InChI

InChI=1S/C15H18N2O3S/c1-3-10(4-2)17-14(20)11-7-5-6-8-12(11)16-15(17)21-9-13(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)/p-1