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

Systemtic Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylic acid Openeye Name: 1-isobutyl-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-1-(2-methylpropyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxylic acid Traditional Name: 1-isobutyl-5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-12(2)10-22-13(3)16(20(23)24)9-18(22)17-11-26-19(21-17)14-5-7-15(25-4)8-6-14/h5-9,11-12H,10H2,1-4H3,(H,23,24)