ethyl 1-[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrol-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[5-(1-piperidyl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-[5-(1-piperidinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)pyrrole-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(5-piperidino-1,3,4-thiadiazol-2-yl)pyrrole-2-carbonyl]isonipecotic acid ethyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCC4

InChI

InChI=1S/C20H27N5O3S/c1-2-28-18(27)15-8-13-23(14-9-15)17(26)16-7-6-12-25(16)20-22-21-19(29-20)24-10-4-3-5-11-24/h6-7,12,15H,2-5,8-11,13-14H2,1H3