5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(2-pyridyldisulfanyl)methyl]benzofuran-2-carboxylic acid CAS Name: 5-[(2-pyridinyldisulfanyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[(pyridin-2-yldisulfanyl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(2-pyridyldisulfanyl)methyl]coumarilic acid Formula: C15H11NO3S2 MolecularWeight: 317.38274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SSCC2=CC3=C(C=C2)OC(=C3)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SSCC2=CC3=C(C=C2)OC(=C3)C(=O)O

InChI

InChI=1S/C15H11NO3S2/c17-15(18)13-8-11-7-10(4-5-12(11)19-13)9-20-21-14-3-1-2-6-16-14/h1-8H,9H2,(H,17,18)