(2-cyanophenyl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (2-cyanophenyl)methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2-cyanobenzyl) ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C24H23NO3S/c25-14-17-8-4-5-9-18(17)15-27-24(26)23-21(16-29-19-10-2-1-3-11-19)20-12-6-7-13-22(20)28-23/h4-9,12-13,19H,1-3,10-11,15-16H2