[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)OC

InChI

InChI=1S/C26H29NO6S/c1-30-18-12-17(13-19(14-18)31-2)27-24(28)15-32-26(29)25-22(16-34-20-8-4-3-5-9-20)21-10-6-7-11-23(21)33-25/h6-7,10-14,20H,3-5,8-9,15-16H2,1-2H3,(H,27,28)