2-[(1S)-1-(2,5-dimethylphenyl)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(1S)-1-(2,5-dimethylphenyl)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(1S)-1-(2,5-dimethylphenyl)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1S)-1-(2,5-dimethylphenyl)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]thio]nicotinic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](C)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H17NO2S/c1-10-6-7-11(2)14(9-10)12(3)20-15-13(16(18)19)5-4-8-17-15/h4-9,12H,1-3H3,(H,18,19)/t12-/m0/s1