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

Systemtic Name: 2-[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-keto-2-mesityl-ethyl)thio]nicotinate Formula: C17H16NO3S- MolecularWeight: 314.37884

Click to see the large picture

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)/p-1