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

Systemtic Name: ethyl 1-[1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-[5-(4-ethyl-1-piperazinyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrole-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[5-(4-ethylpiperazino)-1,3,4-thiadiazol-2-yl]pyrrole-2-carbonyl]isonipecotic acid ethyl ester Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCN1CCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C21H30N6O3S/c1-3-24-12-14-26(15-13-24)20-22-23-21(31-20)27-9-5-6-17(27)18(28)25-10-7-16(8-11-25)19(29)30-4-2/h5-6,9,16H,3-4,7-8,10-15H2,1-2H3