5-(4-chlorophenyl)-6-cyclohexyl-4-methyl-3-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyrrole-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-methyl-3-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-methyl-3-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-methyl-3-(1-pyrrolidinylmethyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-methyl-3-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-6-cyclohexyl-4-methyl-3-(pyrrolidinomethyl)thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C25H29ClN2O2S MolecularWeight: 457.02796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=C(S2)C(=O)O)CN3CCCC3)C4CCCCC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C(=C(C2=C1C(=C(S2)C(=O)O)CN3CCCC3)C4CCCCC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H29ClN2O2S/c1-27-21(17-9-11-18(26)12-10-17)20(16-7-3-2-4-8-16)24-22(27)19(23(31-24)25(29)30)15-28-13-5-6-14-28/h9-12,16H,2-8,13-15H2,1H3,(H,29,30)