ethanedioic acid; ethyl 4-phenyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-phenyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[3-(1-piperidyl)propanoylamino]thiophene-3-carboxylate; oxalic acid CAS Name: oxalic acid; 2-[[1-oxo-3-(1-piperidinyl)propyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-phenyl-2-(3-piperidinopropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3S.C2H2O4/c1-2-26-21(25)19-17(16-9-5-3-6-10-16)15-27-20(19)22-18(24)11-14-23-12-7-4-8-13-23;3-1(4)2(5)6/h3,5-6,9-10,15H,2,4,7-8,11-14H2,1H3,(H,22,24);(H,3,4)(H,5,6)