butyl 4-[2-(cyclohexylmethylsulfanyl)phenyl]-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

Systemtic Name: butyl 4-[2-(cyclohexylmethylsulfanyl)phenyl]-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: butyl 4-[2-(cyclohexylmethylsulfanyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate CAS Name: 4-[2-(cyclohexylmethylthio)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid butyl ester IUPAC Name: butyl 4-[2-(cyclohexylmethylsulfanyl)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Traditional Name: 4-[2-(cyclohexylmethylthio)phenyl]-5-keto-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid butyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3SCC4CCCCC4)C(=O)OC2)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3SCC4CCCCC4)C(=O)OC2)C

InChI

InChI=1S/C26H33NO4S/c1-3-4-14-30-25(28)22-17(2)27-20-15-31-26(29)24(20)23(22)19-12-8-9-13-21(19)32-16-18-10-6-5-7-11-18/h8-9,12-13,18,23,27H,3-7,10-11,14-16H2,1-2H3