[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

InChI

InChI=1S/C22H29NO4S/c1-15(2)12-23-20(24)13-26-22(25)21-18(14-28-16-8-4-3-5-9-16)17-10-6-7-11-19(17)27-21/h6-7,10-11,15-16H,3-5,8-9,12-14H2,1-2H3,(H,23,24)