ethanedioic acid; ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(1-piperidyl)propanoylamino]thiophene-3-carboxylate; oxalic acid CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[1-oxo-3-(1-piperidinyl)propyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-(3-piperidin-1-ylpropanoylamino)thiophene-3-carboxylate; oxalic acid Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-(3-piperidinopropanoylamino)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C24H29ClN2O7S MolecularWeight: 525.01426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O3S.C2H2O4/c1-3-28-22(27)20-19(16-7-9-17(23)10-8-16)15(2)29-21(20)24-18(26)11-14-25-12-5-4-6-13-25;3-1(4)2(5)6/h7-10H,3-6,11-14H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)