[2,3-bis(chloranyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2,3-bis(chloranyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (2,3-dichlorophenyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (2,3-dichlorophenyl) ester IUPAC Name: (2,3-dichlorophenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2,3-dichlorophenyl) ester Formula: C22H20Cl2O3S MolecularWeight: 435.3634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=C(C(=CC=C4)Cl)Cl

InChI

InChI=1S/C22H20Cl2O3S/c23-17-10-6-12-19(20(17)24)27-22(25)21-16(13-28-14-7-2-1-3-8-14)15-9-4-5-11-18(15)26-21/h4-6,9-12,14H,1-3,7-8,13H2