2-[3-(2-methylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(2-methylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(1,1-dimethylpropyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(2-methylbutan-2-yl)-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-(2-methylbutan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[(3-tert-amyl-4-keto-quinazolin-2-yl)thio]acetic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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