2-(6-ethoxy-4-methyl-quinazolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-ethoxy-4-methyl-quinazolin-2-yl)sulfanylethanoic acid Openeye Name: 2-(6-ethoxy-4-methyl-quinazolin-2-yl)sulfanylacetic acid CAS Name: 2-[(6-ethoxy-4-methyl-2-quinazolinyl)thio]acetic acid IUPAC Name: 2-(6-ethoxy-4-methylquinazolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(6-ethoxy-4-methyl-quinazolin-2-yl)thio]acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)SCC(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)SCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-3-18-9-4-5-11-10(6-9)8(2)14-13(15-11)19-7-12(16)17/h4-6H,3,7H2,1-2H3,(H,16,17)