ethanedioic acid; ethyl 4-[2-(thiophen-2-ylmethylamino)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-[2-(thiophen-2-ylmethylamino)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(2-thienylmethylamino)acetyl]piperazine-1-carboxylate; oxalic acid CAS Name: oxalic acid; 4-[1-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(thiophen-2-ylmethylamino)acetyl]piperazine-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-[2-(2-thenylamino)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H23N3O7S MolecularWeight: 401.43472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNCC2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNCC2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21N3O3S.C2H2O4/c1-2-20-14(19)17-7-5-16(6-8-17)13(18)11-15-10-12-4-3-9-21-12;3-1(4)2(5)6/h3-4,9,15H,2,5-8,10-11H2,1H3;(H,3,4)(H,5,6)