4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-(5-isobutyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiazole-2-carboxylic acid CAS Name: 4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-thiazolecarboxylic acid IUPAC Name: 4-[5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-(5-isobutyl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiazole-2-carboxylic acid Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN=C2C(=C1)C(=CN2)C3=CSC(=N3)C(=O)O

Isomeric SMILES

CC(C)CC1=CN=C2C(=C1)C(=CN2)C3=CSC(=N3)C(=O)O

InChI

InChI=1S/C15H15N3O2S/c1-8(2)3-9-4-10-11(6-17-13(10)16-5-9)12-7-21-14(18-12)15(19)20/h4-8H,3H2,1-2H3,(H,16,17)(H,19,20)