3-cyclohex-2-en-1-yl-2-(2-fluoranyl-4-phenylmethoxy-phenyl)-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid

Systemtic Name: 3-cyclohex-2-en-1-yl-2-(2-fluoranyl-4-phenylmethoxy-phenyl)-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid Openeye Name: 2-(4-benzyloxy-2-fluoro-phenyl)-3-cyclohex-2-en-1-yl-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid CAS Name: 3-(1-cyclohex-2-enyl)-2-(2-fluoro-4-phenylmethoxyphenyl)-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid IUPAC Name: 3-cyclohex-2-en-1-yl-2-(2-fluoro-4-phenylmethoxyphenyl)-3a,6a-dihydrothieno[2,3-d]imidazole-5-carboxylic acid Traditional Name: 2-(4-benzoxy-2-fluoro-phenyl)-3-cyclohex-2-en-1-yl-3a,6a-dihydrothien[2,3-d]imidazole-5-carboxylic acid Formula: C25H23FN2O3S MolecularWeight: 450.525123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CC(C1)N2C3C(C=C(S3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=CC=CC=C5)F

Isomeric SMILES

C1CC=CC(C1)N2C3C(C=C(S3)C(=O)O)N=C2C4=C(C=C(C=C4)OCC5=CC=CC=C5)F

InChI

InChI=1S/C25H23FN2O3S/c26-20-13-18(31-15-16-7-3-1-4-8-16)11-12-19(20)23-27-21-14-22(25(29)30)32-24(21)28(23)17-9-5-2-6-10-17/h1,3-5,7-9,11-14,17,21,24H,2,6,10,15H2,(H,29,30)