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

Systemtic Name: 2-methyl-1-(oxolan-2-ylmethyl)-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Openeye Name: 2-methyl-5-[2-(phenoxymethyl)thiazol-4-yl]-1-(tetrahydrofuran-2-ylmethyl)pyrrole-3-carboxylic acid CAS Name: 2-methyl-1-(2-oxolanylmethyl)-5-[2-(phenoxymethyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-1-(oxolan-2-ylmethyl)-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Traditional Name: 2-methyl-5-[2-(phenoxymethyl)thiazol-4-yl]-1-(tetrahydrofurfuryl)pyrrole-3-carboxylic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)COC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-14-17(21(24)25)10-19(23(14)11-16-8-5-9-26-16)18-13-28-20(22-18)12-27-15-6-3-2-4-7-15/h2-4,6-7,10,13,16H,5,8-9,11-12H2,1H3,(H,24,25)