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

Systemtic Name: ethanedioic acid; ethyl 2-[2-(azepan-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate; oxalic acid CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate; oxalic acid Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CN3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O3S2.C2H2O4/c1-2-24-19(23)17-14(15-8-7-11-25-15)13-26-18(17)20-16(22)12-21-9-5-3-4-6-10-21;3-1(4)2(5)6/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,20,22);(H,3,4)(H,5,6)