ethyl 1-(2-methylpropyl)-5-(2-methylsulfanylpyridin-3-yl)carbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylpropyl)-5-(2-methylsulfanylpyridin-3-yl)carbonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 1-isobutyl-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 1-(2-methylpropyl)-5-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylpropyl)-5-(2-methylsulfanylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 1-isobutyl-5-[2-(methylthio)nicotinoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3=C(N=CC=C3)SC)CC(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3=C(N=CC=C3)SC)CC(C)C

InChI

InChI=1S/C20H26N4O3S/c1-5-27-20(26)17-15-12-23(10-8-16(15)24(22-17)11-13(2)3)19(25)14-7-6-9-21-18(14)28-4/h6-7,9,13H,5,8,10-12H2,1-4H3