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

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylic acid CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H18O3S/c17-16(18)15-13(10-20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18)