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

Systemtic Name: ethanedioic acid; ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[3-(1-azepanyl)-1-oxopropyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[3-(azepan-1-yl)propanoylamino]-4-(4-methoxyphenyl)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)CCN3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCN3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O4S.C2H2O4/c1-3-29-23(27)21-19(17-8-10-18(28-2)11-9-17)16-30-22(21)24-20(26)12-15-25-13-6-4-5-7-14-25;3-1(4)2(5)6/h8-11,16H,3-7,12-15H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)