1-(3-phenylpropanoyl)-3-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-phenylpropanoyl)-3-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-phenylpropanoyl)-3-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 1-(1-oxo-3-phenylpropyl)-3-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-phenylpropanoyl)-3-sulfanylidenepyrrolidine-2-carboxylic acid Traditional Name: 1-hydrocinnamoyl-3-thioxo-proline Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1=S)C(=O)O)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

C1CN(C(C1=S)C(=O)O)C(=O)CCC2=CC=CC=C2

InChI

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