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

Systemtic Name: (2S)-1-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]acetyl]proline Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C(=O)O

InChI

InChI=1S/C25H21N3O3S/c26-15-20-19(17-8-3-1-4-9-17)14-21(18-10-5-2-6-11-18)27-24(20)32-16-23(29)28-13-7-12-22(28)25(30)31/h1-6,8-11,14,22H,7,12-13,16H2,(H,30,31)/t22-/m0/s1