5-(propan-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(propan-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 5-(isopropylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 5-[(propan-2-ylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 5-(propan-2-ylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(isopropylthio)methyl]coumarilic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=CC2=C(C=C1)OC(=C2)C(=O)O

Isomeric SMILES

CC(C)SCC1=CC2=C(C=C1)OC(=C2)C(=O)O

InChI

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