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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[O-]

InChI

InChI=1S/C15H18N2O3S/c1-2-3-6-9-17-14(20)11-7-4-5-8-12(11)16-15(17)21-10-13(18)19/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,18,19)/p-1