4-[3-(phenylcarbonylsulfanyl)propanoyl]morpholine-3-carboxylic acid

Systemtic Name: 4-[3-(phenylcarbonylsulfanyl)propanoyl]morpholine-3-carboxylic acid Openeye Name: 4-(3-benzoylsulfanylpropanoyl)morpholine-3-carboxylic acid CAS Name: 4-[3-(benzoylthio)-1-oxopropyl]-3-morpholinecarboxylic acid IUPAC Name: 4-(3-benzoylsulfanylpropanoyl)morpholine-3-carboxylic acid Traditional Name: 4-[3-(benzoylthio)propanoyl]morpholine-3-carboxylic acid Formula: C15H17NO5S MolecularWeight: 323.36418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC(N1C(=O)CCSC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1COCC(N1C(=O)CCSC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H17NO5S/c17-13(16-7-8-21-10-12(16)14(18)19)6-9-22-15(20)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,18,19)