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

Systemtic Name: (2S)-1-[2-(3-cyano-4-phenyl-6-thiophen-2-yl-pyridin-2-yl)sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3-cyano-4-phenyl-6-thiophen-2-ylpyridin-2-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[[3-cyano-4-phenyl-6-(2-thienyl)-2-pyridyl]thio]acetyl]proline Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)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=CS3)C4=CC=CC=C4)C#N)C(=O)O

InChI

InChI=1S/C23H19N3O3S2/c24-13-17-16(15-6-2-1-3-7-15)12-18(20-9-5-11-30-20)25-22(17)31-14-21(27)26-10-4-8-19(26)23(28)29/h1-3,5-7,9,11-12,19H,4,8,10,14H2,(H,28,29)/t19-/m0/s1