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

Systemtic Name: ethyl 2-methyl-5-oxidanylidene-4-[2-(phenylmethylsulfanyl)phenyl]-1-propyl-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 4-(2-benzylsulfanylphenyl)-2-methyl-5-oxo-1-propyl-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate CAS Name: 2-methyl-5-oxo-4-[2-(phenylmethylthio)phenyl]-1-propyl-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylphenyl)-2-methyl-5-oxo-1-propyl-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylate Traditional Name: 4-[2-(benzylthio)phenyl]-5-keto-2-methyl-1-propyl-4,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(C2=C1COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C(C2=C1COC2=O)C3=CC=CC=C3SCC4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C27H29NO4S/c1-4-15-28-18(3)23(26(29)31-5-2)24(25-21(28)16-32-27(25)30)20-13-9-10-14-22(20)33-17-19-11-7-6-8-12-19/h6-14,24H,4-5,15-17H2,1-3H3