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

Systemtic Name: 1-butyl-5-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-butyl-5-[2-[(4-methoxyphenoxy)methyl]thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-butyl-5-[2-[(4-methoxyphenoxy)methyl]-4-thiazolyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-butyl-5-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-butyl-5-[2-[(4-methoxyphenoxy)methyl]thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)COC3=CC=C(C=C3)OC)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)COC3=CC=C(C=C3)OC)C(=O)O)C

InChI

InChI=1S/C21H24N2O4S/c1-4-5-10-23-14(2)17(21(24)25)11-19(23)18-13-28-20(22-18)12-27-16-8-6-15(26-3)7-9-16/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,24,25)