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

Systemtic Name: 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 5-[2-(2-chlorophenyl)thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(2-chlorophenyl)-4-thiazolyl]-1-(cyclohexylmethyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 5-[2-(2-chlorophenyl)thiazol-4-yl]-1-(cyclohexylmethyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C22H23ClN2O2S MolecularWeight: 414.94822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C22H23ClN2O2S/c1-14-17(22(26)27)11-20(25(14)12-15-7-3-2-4-8-15)19-13-28-21(24-19)16-9-5-6-10-18(16)23/h5-6,9-11,13,15H,2-4,7-8,12H2,1H3,(H,26,27)