6-cyclohexyl-4-(2-dimethylaminoethyl)-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-4-(2-dimethylaminoethyl)-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-cyclohexyl-4-(2-dimethylaminoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 6-cyclohexyl-4-(2-dimethylaminoethyl)-5-(4-phenylmethoxyphenyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 6-cyclohexyl-4-(2-dimethylaminoethyl)-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-cyclohexyl-4-(2-dimethylaminoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=C(C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5)SC(=C2)C(=O)O

Isomeric SMILES

CN(C)CCN1C2=C(C(=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C5CCCCC5)SC(=C2)C(=O)O

InChI

InChI=1S/C30H34N2O3S/c1-31(2)17-18-32-25-19-26(30(33)34)36-29(25)27(22-11-7-4-8-12-22)28(32)23-13-15-24(16-14-23)35-20-21-9-5-3-6-10-21/h3,5-6,9-10,13-16,19,22H,4,7-8,11-12,17-18,20H2,1-2H3,(H,33,34)