methyl 2-[2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-pyrrolidin-1-ylcarbonylpiperidin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(pyrrolidine-1-carbonyl)-1-piperidyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-(pyrrolidine-1-carbonyl)piperidino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C22H31N3O4S/c1-29-22(28)19-16-6-2-3-7-17(16)30-20(19)23-18(26)14-24-12-8-15(9-13-24)21(27)25-10-4-5-11-25/h15H,2-14H2,1H3,(H,23,26)