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

Systemtic Name: ethyl 4-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-2-pyrrolidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)prolyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3S/c1-2-29-21(28)25-13-11-24(12-14-25)19(27)17-9-6-10-26(17)20-22-18(23-30-20)15-16-7-4-3-5-8-16/h3-5,7-8,17H,2,6,9-15H2,1H3