diethyl 5-[2-(azepan-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate; ethanedioic acid

Systemtic Name: diethyl 5-[2-(azepan-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate; ethanedioic acid Openeye Name: diethyl 5-[[2-(azepan-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate; oxalic acid CAS Name: 5-[[2-(1-azepanyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid IUPAC Name: diethyl 5-[[2-(azepan-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate; oxalic acid Traditional Name: 5-[[2-(azepan-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester; oxalic acid Formula: C21H30N2O9S MolecularWeight: 486.5359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O5S.C2H2O4/c1-4-25-18(23)15-13(3)16(19(24)26-5-2)27-17(15)20-14(22)12-21-10-8-6-7-9-11-21;3-1(4)2(5)6/h4-12H2,1-3H3,(H,20,22);(H,3,4)(H,5,6)