2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-[(2,4-dimethylthiazol-5-yl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-[(2,4-dimethyl-5-thiazolyl)methyl]-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-[(2,4-dimethylthiazol-5-yl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)CN2C(=C(C3=C2N=CC=C3)CC(=O)O)C

Isomeric SMILES

CC1=C(SC(=N1)C)CN2C(=C(C3=C2N=CC=C3)CC(=O)O)C

InChI

InChI=1S/C16H17N3O2S/c1-9-14(22-11(3)18-9)8-19-10(2)13(7-15(20)21)12-5-4-6-17-16(12)19/h4-6H,7-8H2,1-3H3,(H,20,21)