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

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4CCOC4=O

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)O[C@H]4CCOC4=O

InChI

InChI=1S/C20H22O5S/c21-19-17(10-11-23-19)25-20(22)18-15(12-26-13-6-2-1-3-7-13)14-8-4-5-9-16(14)24-18/h4-5,8-9,13,17H,1-3,6-7,10-12H2/t17-/m0/s1