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

Systemtic Name: ethyl 1-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotoyl]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)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C20H27N5O3S/c1-2-28-18(27)15-7-12-23(13-8-15)17(26)16-6-5-11-25(14-16)20-22-21-19(29-20)24-9-3-4-10-24/h3-4,9-10,15-16H,2,5-8,11-14H2,1H3