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

Systemtic Name: 2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoic acid Openeye Name: 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-8(2)15-12(18)9-5-3-4-6-10(9)14-13(15)19-7-11(16)17/h3-6,8H,7H2,1-2H3,(H,16,17)