1-(3-ethanoylsulfanyl-2-phenyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanyl-2-phenyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2-phenyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxo-2-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2-phenylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-2-phenyl-propanoyl]proline Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(=O)SCC(C1=CC=CC=C1)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-11(18)22-10-13(12-6-3-2-4-7-12)15(19)17-9-5-8-14(17)16(20)21/h2-4,6-7,13-14H,5,8-10H2,1H3,(H,20,21)