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

Systemtic Name: (2S)-1-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[(3-cyano-6-methyl-2-pyridyl)thio]acetyl]proline Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-9-4-5-10(7-15)13(16-9)21-8-12(18)17-6-2-3-11(17)14(19)20/h4-5,11H,2-3,6,8H2,1H3,(H,19,20)/t11-/m0/s1