ethanedioic acid; ethyl 2-[2-(azepan-1-yl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[2-(azepan-1-yl)ethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H28N2O8S MolecularWeight: 480.53132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CN3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CN3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O4S.C2H2O4/c1-3-25-20(24)18-15(16-9-8-14(2)26-16)13-27-19(18)21-17(23)12-22-10-6-4-5-7-11-22;3-1(4)2(5)6/h8-9,13H,3-7,10-12H2,1-2H3,(H,21,23);(H,3,4)(H,5,6)