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

Systemtic Name: ethyl 1-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-2-pyrrolidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)prolyl]isonipecotic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O3S/c1-2-29-21(28)17-10-13-25(14-11-17)20(27)18-9-6-12-26(18)22-23-19(24-30-22)15-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3