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

Systemtic Name: ethyl 4-[2-(cyclohexylmethylsulfanyl)phenyl]-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4S/c1-3-28-23(26)20-15(2)25-18-13-29-24(27)22(18)21(20)17-11-7-8-12-19(17)30-14-16-9-5-4-6-10-16/h7-8,11-12,16,21,25H,3-6,9-10,13-14H2,1-2H3