2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-7-10(8(2)17-14-7)6-18-11-9(12(15)16)4-3-5-13-11/h3-5H,6H2,1-2H3,(H,15,16)