2-[2-(4-fluorophenyl)-4-oxidanyl-thieno[2,3-c]pyridin-5-yl]-2-isocyanato-ethanoic acid

Systemtic Name: 2-[2-(4-fluorophenyl)-4-oxidanyl-thieno[2,3-c]pyridin-5-yl]-2-isocyanato-ethanoic acid Openeye Name: 2-[2-(4-fluorophenyl)-4-hydroxy-thieno[2,3-c]pyridin-5-yl]-2-isocyanato-acetic acid CAS Name: 2-[2-(4-fluorophenyl)-4-hydroxy-5-thieno[2,3-c]pyridinyl]-2-isocyanatoacetic acid IUPAC Name: 2-[2-(4-fluorophenyl)-4-hydroxythieno[2,3-c]pyridin-5-yl]-2-isocyanatoacetic acid Traditional Name: 2-[2-(4-fluorophenyl)-4-hydroxy-thieno[2,3-c]pyridin-5-yl]-2-isocyanato-acetic acid Formula: C16H9FN2O4S MolecularWeight: 344.317063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(C(=NC=C3S2)C(C(=O)O)N=C=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(C(=NC=C3S2)C(C(=O)O)N=C=O)O)F

InChI

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