ethyl 1-ethyl-2-methyl-5-oxidanylidene-4-[2-(phenylmethylsulfanyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-5-oxidanylidene-4-[2-(phenylmethylsulfanyl)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 4-(2-benzylsulfanylphenyl)-1-ethyl-2-methyl-5-oxo-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate CAS Name: 1-ethyl-2-methyl-5-oxo-4-[2-(phenylmethylthio)phenyl]-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylphenyl)-1-ethyl-2-methyl-5-oxo-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate Traditional Name: 4-[2-(benzylthio)phenyl]-1-ethyl-5-keto-2-methyl-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(C2=C1COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(C2=C1COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C26H27NO4S/c1-4-27-17(3)22(25(28)30-5-2)23(24-20(27)15-31-26(24)29)19-13-9-10-14-21(19)32-16-18-11-7-6-8-12-18/h6-14,23H,4-5,15-16H2,1-3H3