2-[4-(4-fluorophenyl)-7-oxidanyl-thieno[3,2-c]pyridin-6-yl]-2-isocyanato-ethanoic acid

Systemtic Name: 2-[4-(4-fluorophenyl)-7-oxidanyl-thieno[3,2-c]pyridin-6-yl]-2-isocyanato-ethanoic acid Openeye Name: 2-[4-(4-fluorophenyl)-7-hydroxy-thieno[3,2-c]pyridin-6-yl]-2-isocyanato-acetic acid CAS Name: 2-[4-(4-fluorophenyl)-7-hydroxy-6-thieno[3,2-c]pyridinyl]-2-isocyanatoacetic acid IUPAC Name: 2-[4-(4-fluorophenyl)-7-hydroxythieno[3,2-c]pyridin-6-yl]-2-isocyanatoacetic acid Traditional Name: 2-[4-(4-fluorophenyl)-7-hydroxy-thieno[3,2-c]pyridin-6-yl]-2-isocyanato-acetic acid Formula: C16H9FN2O4S MolecularWeight: 344.317063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C3=C2C=CS3)O)C(C(=O)O)N=C=O)F

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C3=C2C=CS3)O)C(C(=O)O)N=C=O)F

InChI

InChI=1S/C16H9FN2O4S/c17-9-3-1-8(2-4-9)11-10-5-6-24-15(10)14(21)12(19-11)13(16(22)23)18-7-20/h1-6,13,21H,(H,22,23)