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

Systemtic Name: 3-(propylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(propylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(propylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(propylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(propylthio)methyl]coumarilic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=C(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCSCC1=C(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H14O3S/c1-2-7-17-8-10-9-5-3-4-6-11(9)16-12(10)13(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)