ethanedioic acid; ethyl 5-chloranyl-4-phenyl-2-(2-piperidin-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-chloranyl-4-phenyl-2-(2-piperidin-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-4-phenyl-2-[[2-(1-piperidyl)acetyl]amino]thiophene-3-carboxylate; oxalic acid CAS Name: 5-chloro-2-[[1-oxo-2-(1-piperidinyl)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-chloro-4-phenyl-2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxylate; oxalic acid Traditional Name: 5-chloro-4-phenyl-2-[(2-piperidinoacetyl)amino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)CN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)CN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23ClN2O3S.C2H2O4/c1-2-26-20(25)17-16(14-9-5-3-6-10-14)18(21)27-19(17)22-15(24)13-23-11-7-4-8-12-23;3-1(4)2(5)6/h3,5-6,9-10H,2,4,7-8,11-13H2,1H3,(H,22,24);(H,3,4)(H,5,6)