ethanedioic acid; ethyl 2-[2-(4-methylpiperidin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(4-methylpiperidin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methyl-1-piperidyl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(4-methylpiperidino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H28N2O7S MolecularWeight: 476.54262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCC(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCC(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3S.C2H2O4/c1-3-26-21(25)19-17(16-7-5-4-6-8-16)14-27-20(19)22-18(24)13-23-11-9-15(2)10-12-23;3-1(4)2(5)6/h4-8,14-15H,3,9-13H2,1-2H3,(H,22,24);(H,3,4)(H,5,6)