1-(3-oxidanylidene-3-phenyl-propanethioyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-oxidanylidene-3-phenyl-propanethioyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-oxo-3-phenyl-propanethioyl)pyrrolidine-2-carboxylic acid CAS Name: 1-(3-oxo-3-phenyl-1-sulfanylidenepropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-oxo-3-phenylpropanethioyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-keto-3-phenyl-propanethioyl)proline Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)CC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=S)CC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H15NO3S/c16-12(10-5-2-1-3-6-10)9-13(19)15-8-4-7-11(15)14(17)18/h1-3,5-6,11H,4,7-9H2,(H,17,18)