2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanoic acid Openeye Name: 2-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio]acetic acid Formula: C14H12N2O3S MolecularWeight: 288.32168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)SCC(=O)O)OC3=CC=CC=C32

Isomeric SMILES

CCC1=NC2=C(C(=N1)SCC(=O)O)OC3=CC=CC=C32

InChI

InChI=1S/C14H12N2O3S/c1-2-10-15-12-8-5-3-4-6-9(8)19-13(12)14(16-10)20-7-11(17)18/h3-6H,2,7H2,1H3,(H,17,18)