(4-ethanoylphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (4-ethanoylphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-acetylphenyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (4-acetylphenyl) ester Formula: C24H24O4S MolecularWeight: 408.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C24H24O4S/c1-16(25)17-11-13-18(14-12-17)27-24(26)23-21(15-29-19-7-3-2-4-8-19)20-9-5-6-10-22(20)28-23/h5-6,9-14,19H,2-4,7-8,15H2,1H3