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

Systemtic Name: 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylic acid Openeye Name: 5-[2-(2-chlorophenyl)thiazol-4-yl]-1-isobutyl-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(2-chlorophenyl)-4-thiazolyl]-2-methyl-1-(2-methylpropyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylic acid Traditional Name: 5-[2-(2-chlorophenyl)thiazol-4-yl]-1-isobutyl-2-methyl-pyrrole-3-carboxylic acid Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C19H19ClN2O2S/c1-11(2)9-22-12(3)14(19(23)24)8-17(22)16-10-25-18(21-16)13-6-4-5-7-15(13)20/h4-8,10-11H,9H2,1-3H3,(H,23,24)