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

Systemtic Name: 2-[3-(2-methylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[3-(1,1-dimethylpropyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(2-methylbutan-2-yl)-4-oxo-2-quinazolinyl]thio]acetate IUPAC Name: 2-[3-(2-methylbutan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(3-tert-amyl-4-keto-quinazolin-2-yl)thio]acetate Formula: C15H17N2O3S- MolecularWeight: 305.37208

Click to see the large picture

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)/p-1