ethanedioic acid; ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(4-methyl-1-piperidyl)propanoylamino]thiophene-3-carboxylate; oxalic acid CAS Name: 4,5-dimethyl-2-[[3-(4-methyl-1-piperidinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-yl)propanoylamino]thiophene-3-carboxylate; oxalic acid Traditional Name: 4,5-dimethyl-2-[3-(4-methylpiperidino)propanoylamino]thiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C20H30N2O7S MolecularWeight: 442.5264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2CCC(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2CCC(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3S.C2H2O4/c1-5-23-18(22)16-13(3)14(4)24-17(16)19-15(21)8-11-20-9-6-12(2)7-10-20;3-1(4)2(5)6/h12H,5-11H2,1-4H3,(H,19,21);(H,3,4)(H,5,6)