(4-bromanyl-2-chloranyl-6-methyl-phenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C23H22BrClO3S MolecularWeight: 493.84098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)Cl)Br

InChI

InChI=1S/C23H22BrClO3S/c1-14-11-15(24)12-19(25)21(14)28-23(26)22-18(13-29-16-7-3-2-4-8-16)17-9-5-6-10-20(17)27-22/h5-6,9-12,16H,2-4,7-8,13H2,1H3