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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-keto-2-(methylamino)ethyl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-20-17(21)11-23-19(22)18-15(12-25-13-7-3-2-4-8-13)14-9-5-6-10-16(14)24-18/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,20,21)