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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]acetate IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)[O-]

InChI

InChI=1S/C14H16N2O3S/c1-2-3-8-16-13(19)10-6-4-5-7-11(10)15-14(16)20-9-12(17)18/h4-7H,2-3,8-9H2,1H3,(H,17,18)/p-1