ethanedioic acid; ethyl 6-methyl-2-(3-piperidin-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 6-methyl-2-(3-piperidin-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[3-(1-piperidyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate; oxalic acid CAS Name: 6-methyl-2-[[1-oxo-3-(1-piperidinyl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 6-methyl-2-(3-piperidin-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; oxalic acid Traditional Name: 6-methyl-2-(3-piperidinopropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H32N2O7S MolecularWeight: 468.56368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O3S.C2H2O4/c1-3-25-20(24)18-15-8-7-14(2)13-16(15)26-19(18)21-17(23)9-12-22-10-5-4-6-11-22;3-1(4)2(5)6/h14H,3-13H2,1-2H3,(H,21,23);(H,3,4)(H,5,6)