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

Systemtic Name: 3-(ethylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(ethylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(ethylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(ethylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(ethylthio)methyl]coumarilic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCSCC1=C(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H12O3S/c1-2-16-7-9-8-5-3-4-6-10(8)15-11(9)12(13)14/h3-6H,2,7H2,1H3,(H,13,14)