3-cyclohexyl-2-(4-phenylmethoxyphenyl)-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-cyclohexyl-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid CAS Name: 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid IUPAC Name: 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-cyclohexyl-3a,6a-dihydrothien[2,3-d]imidazole-5-carboxylic acid Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3C(C=C(S3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C3C(C=C(S3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H26N2O3S/c28-25(29)22-15-21-24(31-22)27(19-9-5-2-6-10-19)23(26-21)18-11-13-20(14-12-18)30-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19,21,24H,2,5-6,9-10,16H2,(H,28,29)