5-(2-hydroxyphenyl)-1-[3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(2-hydroxyphenyl)-1-[3-oxidanylidene-3-phenyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 5-(2-hydroxyphenyl)-1-[3-oxo-3-phenyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 5-(2-hydroxyphenyl)-1-[2-(mercaptomethyl)-1,3-dioxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(2-hydroxyphenyl)-1-[3-oxo-3-phenyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 5-(2-hydroxyphenyl)-1-[3-keto-2-(mercaptomethyl)-3-phenyl-propanoyl]proline Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C2=CC=CC=C2O)C(=O)C(CS)C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(N(C1C2=CC=CC=C2O)C(=O)C(CS)C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21NO5S/c23-18-9-5-4-8-14(18)16-10-11-17(21(26)27)22(16)20(25)15(12-28)19(24)13-6-2-1-3-7-13/h1-9,15-17,23,28H,10-12H2,(H,26,27)