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

Systemtic Name: ethyl 2-methyl-5-oxidanylidene-4-(2-phenethylsulfanylphenyl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 2-methyl-5-oxo-4-(2-phenethylsulfanylphenyl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate CAS Name: 2-methyl-5-oxo-4-[2-(phenethylthio)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-oxo-4-(2-phenethylsulfanylphenyl)-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Traditional Name: 5-keto-2-methyl-4-[2-(phenethylthio)phenyl]-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3SCCC4=CC=CC=C4)C(=O)OC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3SCCC4=CC=CC=C4)C(=O)OC2)C

InChI

InChI=1S/C25H25NO4S/c1-3-29-24(27)21-16(2)26-19-15-30-25(28)23(19)22(21)18-11-7-8-12-20(18)31-14-13-17-9-5-4-6-10-17/h4-12,22,26H,3,13-15H2,1-2H3