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

Systemtic Name: 3-(butylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(butylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(butylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(butylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(butylthio)methyl]coumarilic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=C(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCSCC1=C(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H16O3S/c1-2-3-8-18-9-11-10-6-4-5-7-12(10)17-13(11)14(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)