3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-ethynyl-benzoic acid

Systemtic Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-ethynyl-benzoic acid Openeye Name: 3-cyclohexyl-4-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-5-ethynyl-benzoic acid CAS Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-5-thiazolyl)-6-quinolinyl]-5-ethynylbenzoic acid IUPAC Name: 3-cyclohexyl-4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-5-ethynylbenzoic acid Traditional Name: 3-cyclohexyl-4-[2-(2,4-dimethylthiazol-5-yl)-6-quinolyl]-5-ethynyl-benzoic acid Formula: C29H26N2O2S MolecularWeight: 466.59394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(C=C4C#C)C(=O)O)C5CCCCC5

Isomeric SMILES

CC1=C(SC(=N1)C)C2=NC3=C(C=C2)C=C(C=C3)C4=C(C=C(C=C4C#C)C(=O)O)C5CCCCC5

InChI

InChI=1S/C29H26N2O2S/c1-4-19-14-23(29(32)33)16-24(20-8-6-5-7-9-20)27(19)22-11-12-25-21(15-22)10-13-26(31-25)28-17(2)30-18(3)34-28/h1,10-16,20H,5-9H2,2-3H3,(H,32,33)