(4-bromanyl-2-chloranyl-phenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (4-bromo-2-chloro-phenyl) ester Formula: C22H20BrClO3S MolecularWeight: 479.8144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrClO3S/c23-14-10-11-20(18(24)12-14)27-22(25)21-17(13-28-15-6-2-1-3-7-15)16-8-4-5-9-19(16)26-21/h4-5,8-12,15H,1-3,6-7,13H2