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

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

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)COC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC(C)C)C2=CSC(=N2)COC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-13(2)10-23-14(3)17(21(24)25)9-19(23)18-12-28-20(22-18)11-27-16-7-5-15(26-4)6-8-16/h5-9,12-13H,10-11H2,1-4H3,(H,24,25)