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

Systemtic Name: 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(methylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(methylthio)methyl]coumarilic acid Formula: C11H10O3S MolecularWeight: 222.2603

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)O

InChI

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