ethyl 1-[2-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methyl-amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-methyl-amino]acetyl]isonipecotic acid ethyl ester Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4O3S/c1-3-28-19(27)15-8-10-25(11-9-15)18(26)13-24(2)20-22-17(23-29-20)12-14-4-6-16(21)7-5-14/h4-7,15H,3,8-13H2,1-2H3