1-(cyclohexylmethyl)-2-methyl-5-[2-(6-methylpyridin-3-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(6-methylpyridin-3-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(6-methyl-3-pyridyl)thiazol-4-yl]pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(6-methylpyridin-3-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(6-methyl-3-pyridyl)thiazol-4-yl]pyrrole-3-carboxylic acid Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=NC(=CS2)C3=CC(=C(N3CC4CCCCC4)C)C(=O)O

Isomeric SMILES

CC1=NC=C(C=C1)C2=NC(=CS2)C3=CC(=C(N3CC4CCCCC4)C)C(=O)O

InChI

InChI=1S/C22H25N3O2S/c1-14-8-9-17(11-23-14)21-24-19(13-28-21)20-10-18(22(26)27)15(2)25(20)12-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H,26,27)