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

Systemtic Name: 1-butyl-5-[2-(2-ethylpyridin-4-yl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-butyl-5-[2-(2-ethyl-4-pyridyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-butyl-5-[2-(2-ethyl-4-pyridinyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-butyl-5-[2-(2-ethylpyridin-4-yl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-butyl-5-[2-(2-ethyl-4-pyridyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CC(=NC=C3)CC)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CC(=NC=C3)CC)C(=O)O)C

InChI

InChI=1S/C20H23N3O2S/c1-4-6-9-23-13(3)16(20(24)25)11-18(23)17-12-26-19(22-17)14-7-8-21-15(5-2)10-14/h7-8,10-12H,4-6,9H2,1-3H3,(H,24,25)