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

Systemtic Name: (2S)-1-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-[3-cyano-6-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridyl]thio]acetyl]proline Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C20H19N3O4S/c1-27-15-7-4-13(5-8-15)16-9-6-14(11-21)19(22-16)28-12-18(24)23-10-2-3-17(23)20(25)26/h4-9,17H,2-3,10,12H2,1H3,(H,25,26)/t17-/m0/s1