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

Systemtic Name: 6-cyclohexyl-5-(4-phenylmethoxyphenyl)-4-(phenylmethyl)thieno[3,2-b]pyrrole-2-carboxylic acid Openeye Name: 4-benzyl-5-(4-benzyloxyphenyl)-6-cyclohexyl-thieno[3,2-b]pyrrole-2-carboxylic acid CAS Name: 6-cyclohexyl-5-(4-phenylmethoxyphenyl)-4-(phenylmethyl)-2-thieno[3,2-b]pyrrolecarboxylic acid IUPAC Name: 4-benzyl-6-cyclohexyl-5-(4-phenylmethoxyphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-4-benzyl-6-cyclohexyl-thieno[3,2-b]pyrrole-2-carboxylic acid Formula: C33H31NO3S MolecularWeight: 521.66914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)CC4=CC=CC=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2SC(=C3)C(=O)O)CC4=CC=CC=C4)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C33H31NO3S/c35-33(36)29-20-28-32(38-29)30(25-14-8-3-9-15-25)31(34(28)21-23-10-4-1-5-11-23)26-16-18-27(19-17-26)37-22-24-12-6-2-7-13-24/h1-2,4-7,10-13,16-20,25H,3,8-9,14-15,21-22H2,(H,35,36)