(2S)-1-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]proline Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCCC2C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCC[C@H]2C(=O)O)C

InChI

InChI=1S/C15H17N3O3S/c1-9-6-10(2)17-14(11(9)7-16)22-8-13(19)18-5-3-4-12(18)15(20)21/h6,12H,3-5,8H2,1-2H3,(H,20,21)/t12-/m0/s1