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

Systemtic Name: 5-(4-chlorophenyl)-6-cyclohexyl-3-(dimethylaminomethyl)-4-methyl-thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-6-cyclohexyl-3-(dimethylaminomethyl)-4-methyl-thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-6-cyclohexyl-3-(dimethylaminomethyl)-4-methyl-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-6-cyclohexyl-3-(dimethylaminomethyl)-4-methylthieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-6-cyclohexyl-3-(dimethylaminomethyl)-4-methyl-thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C23H27ClN2O2S MolecularWeight: 430.99068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=C(S2)C(=O)O)CN(C)C)C3CCCCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=C(C2=C1C(=C(S2)C(=O)O)CN(C)C)C3CCCCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN2O2S/c1-25(2)13-17-20-22(29-21(17)23(27)28)18(14-7-5-4-6-8-14)19(26(20)3)15-9-11-16(24)12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,27,28)