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

Systemtic Name: 2-methyl-1-(2-methylpropyl)-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Openeye Name: 1-isobutyl-2-methyl-5-[2-(phenoxymethyl)thiazol-4-yl]pyrrole-3-carboxylic acid CAS Name: 2-methyl-1-(2-methylpropyl)-5-[2-(phenoxymethyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-1-(2-methylpropyl)-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Traditional Name: 1-isobutyl-2-methyl-5-[2-(phenoxymethyl)thiazol-4-yl]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)COC3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-13(2)10-22-14(3)16(20(23)24)9-18(22)17-12-26-19(21-17)11-25-15-7-5-4-6-8-15/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)