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

Systemtic Name: ethanedioic acid; ethyl 4-(4-methoxyphenyl)-2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-methoxyphenyl)-2-[3-(4-methyl-1-piperidyl)propanoylamino]thiophene-3-carboxylate; oxalic acid CAS Name: 4-(4-methoxyphenyl)-2-[[3-(4-methyl-1-piperidinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(4-methoxyphenyl)-2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxylate; oxalic acid Traditional Name: 4-(4-methoxyphenyl)-2-[3-(4-methylpiperidino)propanoylamino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C25H32N2O8S MolecularWeight: 520.59518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCN3CCC(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCN3CCC(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O4S.C2H2O4/c1-4-29-23(27)21-19(17-5-7-18(28-3)8-6-17)15-30-22(21)24-20(26)11-14-25-12-9-16(2)10-13-25;3-1(4)2(5)6/h5-8,15-16H,4,9-14H2,1-3H3,(H,24,26);(H,3,4)(H,5,6)