5-[2-(6-methoxypyridin-3-yl)-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid

Systemtic Name: 5-[2-(6-methoxypyridin-3-yl)-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid Openeye Name: 5-[2-(6-methoxy-3-pyridyl)thiazol-4-yl]-2-methyl-1-(tetrahydrofuran-2-ylmethyl)pyrrole-3-carboxylic acid CAS Name: 5-[2-(6-methoxy-3-pyridinyl)-4-thiazolyl]-2-methyl-1-(2-oxolanylmethyl)-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(6-methoxypyridin-3-yl)-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid Traditional Name: 5-[2-(6-methoxy-3-pyridyl)thiazol-4-yl]-2-methyl-1-(tetrahydrofurfuryl)pyrrole-3-carboxylic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)C4=CN=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCO2)C3=CSC(=N3)C4=CN=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C20H21N3O4S/c1-12-15(20(24)25)8-17(23(12)10-14-4-3-7-27-14)16-11-28-19(22-16)13-5-6-18(26-2)21-9-13/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,24,25)