1-(3-phenylpropanoyl)-4-sulfanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-phenylpropanoyl)-4-sulfanylidene-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-phenylpropanoyl)-4-thioxo-pyrrolidine-2-carboxylic acid CAS Name: 1-(1-oxo-3-phenylpropyl)-4-sulfanylidene-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-phenylpropanoyl)-4-sulfanylidenepyrrolidine-2-carboxylic acid Traditional Name: 1-hydrocinnamoyl-4-thioxo-proline Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1=S)C(=O)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(N(CC1=S)C(=O)CCC2=CC=CC=C2)C(=O)O

InChI

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