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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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