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

Systemtic Name: 4,6-dicyclohexyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-4,6-dicyclohexyl-thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 4,6-dicyclohexyl-5-(4-phenylmethoxyphenyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 4,6-dicyclohexyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-4,6-dicyclohexyl-thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C32H35NO3S MolecularWeight: 513.6902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)C4CCCCC4)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)C4CCCCC4)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C32H35NO3S/c34-32(35)28-20-27-31(37-28)29(23-12-6-2-7-13-23)30(33(27)25-14-8-3-9-15-25)24-16-18-26(19-17-24)36-21-22-10-4-1-5-11-22/h1,4-5,10-11,16-20,23,25H,2-3,6-9,12-15,21H2,(H,34,35)