[4-(4-cyanophenyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [4-(4-cyanophenyl)phenyl] ester Formula: C29H25NO3S MolecularWeight: 467.5787

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H25NO3S/c30-18-20-10-12-21(13-11-20)22-14-16-23(17-15-22)32-29(31)28-26(19-34-24-6-2-1-3-7-24)25-8-4-5-9-27(25)33-28/h4-5,8-17,24H,1-3,6-7,19H2