1-[2-ethanoyl-4-(3-fluorophenyl)-4-oxidanylidene-butanethioyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-ethanoyl-4-(3-fluorophenyl)-4-oxidanylidene-butanethioyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-acetyl-4-(3-fluorophenyl)-4-oxo-butanethioyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-acetyl-4-(3-fluorophenyl)-4-oxo-1-sulfanylidenebutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-acetyl-4-(3-fluorophenyl)-4-oxobutanethioyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-acetyl-4-(3-fluorophenyl)-4-keto-butanethioyl]proline Formula: C17H18FNO4S MolecularWeight: 351.392523

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)C1=CC(=CC=C1)F)C(=S)N2CCCC2C(=O)O

Isomeric SMILES

CC(=O)C(CC(=O)C1=CC(=CC=C1)F)C(=S)N2CCCC2C(=O)O

InChI

InChI=1S/C17H18FNO4S/c1-10(20)13(9-15(21)11-4-2-5-12(18)8-11)16(24)19-7-3-6-14(19)17(22)23/h2,4-5,8,13-14H,3,6-7,9H2,1H3,(H,22,23)