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

Systemtic Name: 6-cyclohexyl-4-methyl-5-(2-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 5-(2-benzyloxyphenyl)-6-cyclohexyl-4-methyl-thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 6-cyclohexyl-4-methyl-5-(2-phenylmethoxyphenyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 6-cyclohexyl-4-methyl-5-(2-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(2-benzoxyphenyl)-6-cyclohexyl-4-methyl-thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C1C3=CC=CC=C3OCC4=CC=CC=C4)C5CCCCC5)SC(=C2)C(=O)O

Isomeric SMILES

CN1C2=C(C(=C1C3=CC=CC=C3OCC4=CC=CC=C4)C5CCCCC5)SC(=C2)C(=O)O

InChI

InChI=1S/C27H27NO3S/c1-28-21-16-23(27(29)30)32-26(21)24(19-12-6-3-7-13-19)25(28)20-14-8-9-15-22(20)31-17-18-10-4-2-5-11-18/h2,4-5,8-11,14-16,19H,3,6-7,12-13,17H2,1H3,(H,29,30)