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

Systemtic Name: [2-(3-methoxypropylamino)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(3-methoxypropylamino)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(3-methoxypropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxypropylamino)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-keto-2-(3-methoxypropylamino)ethyl] ester Formula: C22H29NO5S MolecularWeight: 419.53436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5S/c1-26-13-7-12-23-20(24)14-27-22(25)21-18(15-29-16-8-3-2-4-9-16)17-10-5-6-11-19(17)28-21/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,23,24)