3-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridin-2-yl]propanoic acid

Systemtic Name: 3-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridin-2-yl]propanoic acid Openeye Name: 3-[6-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-pyridyl]propanoic acid CAS Name: 3-[6-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-pyridinyl]propanoic acid IUPAC Name: 3-[6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridin-2-yl]propanoic acid Traditional Name: 3-[6-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-pyridyl]propionic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC=C3)CCC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC=C3)CCC(=O)O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-3-26-18-10-8-14(12-19(18)27-4-2)21-23-17(13-28-21)16-7-5-6-15(22-16)9-11-20(24)25/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,24,25)