ethyl 2-[1-[2-(3-cyanopropylsulfanyl)pyridin-3-yl]carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-[2-(3-cyanopropylsulfanyl)pyridin-3-yl]carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-[2-(3-cyanopropylsulfanyl)pyridine-3-carbonyl]-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[[2-(3-cyanopropylthio)-3-pyridinyl]-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(3-cyanopropylsulfanyl)pyridine-3-carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-[2-(3-cyanopropylthio)nicotinoyl]-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SCCCC#N

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SCCCC#N

InChI

InChI=1S/C21H24N4O3S2/c1-2-28-21(27)17-14-30-18(24-17)15-7-11-25(12-8-15)20(26)16-6-5-10-23-19(16)29-13-4-3-9-22/h5-6,10,14-15H,2-4,7-8,11-13H2,1H3