2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-keto-2-mesityl-ethyl)thio]nicotinic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CSC2=C(C=CC=N2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CSC2=C(C=CC=N2)C(=O)O)C

InChI

InChI=1S/C17H17NO3S/c1-10-7-11(2)15(12(3)8-10)14(19)9-22-16-13(17(20)21)5-4-6-18-16/h4-8H,9H2,1-3H3,(H,20,21)