2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-tert-butylthiazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-tert-butyl-4-thiazolyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-tert-butylthiazol-4-yl)methylthio]nicotinic acid Formula: C14H16N2O2S2 MolecularWeight: 308.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CS1)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=CS1)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H16N2O2S2/c1-14(2,3)13-16-9(8-20-13)7-19-11-10(12(17)18)5-4-6-15-11/h4-6,8H,7H2,1-3H3,(H,17,18)