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

Systemtic Name: (2S)-1-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetyl]proline Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)C(=O)O

InChI

InChI=1S/C19H17N3O3S/c20-11-14-8-9-15(13-5-2-1-3-6-13)21-18(14)26-12-17(23)22-10-4-7-16(22)19(24)25/h1-3,5-6,8-9,16H,4,7,10,12H2,(H,24,25)/t16-/m0/s1