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

Systemtic Name: ethyl 4-(2-butylsulfanylphenyl)-2-methyl-5-oxidanylidene-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 4-(2-butylsulfanylphenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate CAS Name: 4-[2-(butylthio)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-butylsulfanylphenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate Traditional Name: 4-[2-(butylthio)phenyl]-5-keto-2-methyl-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC=C1C2C3=C(COC3=O)NC(=C2C(=O)OCC)C

Isomeric SMILES

CCCCSC1=CC=CC=C1C2C3=C(COC3=O)NC(=C2C(=O)OCC)C

InChI

InChI=1S/C21H25NO4S/c1-4-6-11-27-16-10-8-7-9-14(16)18-17(20(23)25-5-2)13(3)22-15-12-26-21(24)19(15)18/h7-10,18,22H,4-6,11-12H2,1-3H3