ethyl 1-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[2-[(5-cyano-2-thiazolyl)amino]-4-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-4-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[2-[(5-cyanothiazol-2-yl)amino]-4-pyridyl]methyl]isonipecotic acid ethyl ester Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC(=NC=C2)NC3=NC=C(S3)C#N

InChI

InChI=1S/C18H21N5O2S/c1-2-25-17(24)14-4-7-23(8-5-14)12-13-3-6-20-16(9-13)22-18-21-11-15(10-19)26-18/h3,6,9,11,14H,2,4-5,7-8,12H2,1H3,(H,20,21,22)