5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=CC=N2)C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=CC=N2)C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C22H19N3O3S/c1-14-18(22(26)27)11-20(25(14)12-16-5-3-4-10-23-16)19-13-29-21(24-19)15-6-8-17(28-2)9-7-15/h3-11,13H,12H2,1-2H3,(H,26,27)