ethyl 2-(cyclohexylsulfanylmethyl)-4-(dimethylaminomethyl)-5-oxidanyl-6,7-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-(cyclohexylsulfanylmethyl)-4-(dimethylaminomethyl)-5-oxidanyl-6,7-dihydro-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-(cyclohexylsulfanylmethyl)-4-(dimethylaminomethyl)-5-hydroxy-6,7-dihydrobenzofuran-3-carboxylate CAS Name: 2-[(cyclohexylthio)methyl]-4-(dimethylaminomethyl)-5-hydroxy-6,7-dihydrobenzofuran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclohexylsulfanylmethyl)-4-(dimethylaminomethyl)-5-hydroxy-6,7-dihydro-1-benzofuran-3-carboxylate Traditional Name: 2-[(cyclohexylthio)methyl]-4-(dimethylaminomethyl)-5-hydroxy-6,7-dihydrobenzofuran-3-carboxylic acid ethyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(CC2)O)CN(C)C)CSC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(CC2)O)CN(C)C)CSC3CCCCC3

InChI

InChI=1S/C21H31NO4S/c1-4-25-21(24)20-18(13-27-14-8-6-5-7-9-14)26-17-11-10-16(23)15(19(17)20)12-22(2)3/h14,23H,4-13H2,1-3H3