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

Systemtic Name: 5-(pentylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 5-(pentylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 5-[(pentylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 5-(pentylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(amylthio)methyl]coumarilic acid Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCC1=CC2=C(C=C1)OC(=C2)C(=O)O

Isomeric SMILES

CCCCCSCC1=CC2=C(C=C1)OC(=C2)C(=O)O

InChI

InChI=1S/C15H18O3S/c1-2-3-4-7-19-10-11-5-6-13-12(8-11)9-14(18-13)15(16)17/h5-6,8-9H,2-4,7,10H2,1H3,(H,16,17)