2-(6-ethylquinazolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-ethylquinazolin-4-yl)sulfanylethanoic acid Openeye Name: 2-(6-ethylquinazolin-4-yl)sulfanylacetic acid CAS Name: 2-[(6-ethyl-4-quinazolinyl)thio]acetic acid IUPAC Name: 2-(6-ethylquinazolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(6-ethylquinazolin-4-yl)thio]acetic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2SCC(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2SCC(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-2-8-3-4-10-9(5-8)12(14-7-13-10)17-6-11(15)16/h3-5,7H,2,6H2,1H3,(H,15,16)