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

Systemtic Name: ethanedioic acid; ethyl 6-methyl-2-(2-pyrrolidin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate; oxalic acid CAS Name: 6-methyl-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 6-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; oxalic acid Traditional Name: 6-methyl-2-[(2-pyrrolidinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N2O3S.C2H2O4/c1-3-23-18(22)16-13-7-6-12(2)10-14(13)24-17(16)19-15(21)11-20-8-4-5-9-20;3-1(4)2(5)6/h12H,3-11H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)