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

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-(3-methyl-4-oxo-benzofuro[3,2-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(3-methyl-4-oxo-2-benzofuro[3,2-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-[(3-methyl-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-keto-3-methyl-benzofuro[3,2-d]pyrimidin-2-yl)thio]acetic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCC(=O)O

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCC(=O)O

InChI

InChI=1S/C13H10N2O4S/c1-15-12(18)11-10(14-13(15)20-6-9(16)17)7-4-2-3-5-8(7)19-11/h2-5H,6H2,1H3,(H,16,17)