[(1S)-2-oxidanylidenecyclohexyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4CCCCC4=O

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)O[C@H]4CCCCC4=O

InChI

InChI=1S/C22H26O4S/c23-18-11-5-7-13-20(18)26-22(24)21-17(14-27-15-8-2-1-3-9-15)16-10-4-6-12-19(16)25-21/h4,6,10,12,15,20H,1-3,5,7-9,11,13-14H2/t20-/m0/s1