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

Systemtic Name: 2-methyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 2-methyl-5-[2-(phenoxymethyl)thiazol-4-yl]-1-(2-thienylmethyl)pyrrole-3-carboxylic acid CAS Name: 2-methyl-5-[2-(phenoxymethyl)-4-thiazolyl]-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 2-methyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 2-methyl-5-[2-(phenoxymethyl)thiazol-4-yl]-1-(2-thenyl)pyrrole-3-carboxylic acid Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=CS2)C3=CSC(=N3)COC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=CS2)C3=CSC(=N3)COC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18N2O3S2/c1-14-17(21(24)25)10-19(23(14)11-16-8-5-9-27-16)18-13-28-20(22-18)12-26-15-6-3-2-4-7-15/h2-10,13H,11-12H2,1H3,(H,24,25)