(2S)-1-[2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]acetyl]proline Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC(=O)N2CCCC2C(=O)O)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC(=O)N2CCC[C@H]2C(=O)O)C#N)C

InChI

InChI=1S/C16H19N3O3S/c1-3-12-10(2)7-11(8-17)15(18-12)23-9-14(20)19-6-4-5-13(19)16(21)22/h7,13H,3-6,9H2,1-2H3,(H,21,22)/t13-/m0/s1