2-(4-oxidanylidene-3-pentan-2-yl-quinazolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-oxidanylidene-3-pentan-2-yl-quinazolin-2-yl)sulfanylethanoic acid Openeye Name: 2-[3-(1-methylbutyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[(4-oxo-3-pentan-2-yl-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(4-oxo-3-pentan-2-ylquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[[4-keto-3-(1-methylbutyl)quinazolin-2-yl]thio]acetic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

InChI

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