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

Systemtic Name: 1-butyl-2-methyl-5-[2-(6-methylpyridin-3-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Openeye Name: 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridyl)thiazol-4-yl]pyrrole-3-carboxylic acid CAS Name: 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridinyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-butyl-2-methyl-5-[2-(6-methylpyridin-3-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Traditional Name: 1-butyl-2-methyl-5-[2-(6-methyl-3-pyridyl)thiazol-4-yl]pyrrole-3-carboxylic acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CN=C(C=C3)C)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CN=C(C=C3)C)C(=O)O)C

InChI

InChI=1S/C19H21N3O2S/c1-4-5-8-22-13(3)15(19(23)24)9-17(22)16-11-25-18(21-16)14-7-6-12(2)20-10-14/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,24)