[1-[3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidin-2-yl]phosphonic acid

Systemtic Name: [1-[3-(phenylcarbonylsulfanyl)propanoyl]pyrrolidin-2-yl]phosphonic acid Openeye Name: [1-(3-benzoylsulfanylpropanoyl)pyrrolidin-2-yl]phosphonic acid CAS Name: [1-[3-(benzoylthio)-1-oxopropyl]-2-pyrrolidinyl]phosphonic acid IUPAC Name: [1-(3-benzoylsulfanylpropanoyl)pyrrolidin-2-yl]phosphonic acid Traditional Name: [1-[3-(benzoylthio)propanoyl]pyrrolidin-2-yl]phosphonic acid Formula: C14H18NO5PS MolecularWeight: 343.335181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCSC(=O)C2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CCSC(=O)C2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C14H18NO5PS/c16-12(15-9-4-7-13(15)21(18,19)20)8-10-22-14(17)11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2,(H2,18,19,20)