3-[(2-carboxy-1-benzofuran-3-yl)methylsulfanylmethyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1-benzofuran-3-yl)methylsulfanylmethyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(2-carboxybenzofuran-3-yl)methylsulfanylmethyl]benzofuran-2-carboxylic acid CAS Name: 3-[[(2-carboxy-3-benzofuranyl)methylthio]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(2-carboxy-1-benzofuran-3-yl)methylsulfanylmethyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[(2-carboxybenzofuran-3-yl)methylthio]methyl]coumarilic acid Formula: C20H14O6S MolecularWeight: 382.38656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSCC3=C(OC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CSCC3=C(OC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H14O6S/c21-19(22)17-13(11-5-1-3-7-15(11)25-17)9-27-10-14-12-6-2-4-8-16(12)26-18(14)20(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)