5-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 5-(methylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 5-[(methylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 5-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(methylthio)methyl]coumarilic acid Formula: C11H10O3S MolecularWeight: 222.2603

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC2=C(C=C1)OC(=C2)C(=O)O

Isomeric SMILES

CSCC1=CC2=C(C=C1)OC(=C2)C(=O)O

InChI

InChI=1S/C11H10O3S/c1-15-6-7-2-3-9-8(4-7)5-10(14-9)11(12)13/h2-5H,6H2,1H3,(H,12,13)