[4-(2-butylsulfanylphenyl)-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] ethyl carbonate

Systemtic Name: [4-(2-butylsulfanylphenyl)-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] ethyl carbonate Openeye Name: [4-(2-butylsulfanylphenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] ethyl carbonate CAS Name: carbonic acid [4-[2-(butylthio)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] ethyl ester IUPAC Name: [4-(2-butylsulfanylphenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] ethyl carbonate Traditional Name: carbonic acid [4-[2-(butylthio)phenyl]-5-keto-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1C2C3=C(COC3=O)NC(=C2OC(=O)OCC)C

Isomeric SMILES

CCCCSC1=CC=CC=C1C2C3=C(COC3=O)NC(=C2OC(=O)OCC)C

InChI

InChI=1S/C21H25NO5S/c1-4-6-11-28-16-10-8-7-9-14(16)17-18-15(12-26-20(18)23)22-13(3)19(17)27-21(24)25-5-2/h7-10,17,22H,4-6,11-12H2,1-3H3