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

Systemtic Name: 5-[2-(2-ethylpyridin-4-yl)-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 5-[2-(2-ethyl-4-pyridyl)thiazol-4-yl]-2-methyl-1-(tetrahydrofuran-2-ylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-[2-(2-ethyl-4-pyridinyl)-4-thiazolyl]-2-methyl-1-(2-oxolanylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(2-ethylpyridin-4-yl)-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 5-[2-(2-ethyl-4-pyridyl)thiazol-4-yl]-2-methyl-1-(tetrahydrofurfuryl)pyrrole-3-carboxylic acid Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC(=C(N3CC4CCCO4)C)C(=O)O

Isomeric SMILES

CCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC(=C(N3CC4CCCO4)C)C(=O)O

InChI

InChI=1S/C21H23N3O3S/c1-3-15-9-14(6-7-22-15)20-23-18(12-28-20)19-10-17(21(25)26)13(2)24(19)11-16-5-4-8-27-16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3,(H,25,26)