2-[2-oxidanylidene-4-(phenylmethylsulfanyl)azetidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-4-(phenylmethylsulfanyl)azetidin-1-yl]ethanoic acid Openeye Name: 2-(2-benzylsulfanyl-4-oxo-azetidin-1-yl)acetic acid CAS Name: 2-[2-oxo-4-(phenylmethylthio)-1-azetidinyl]acetic acid IUPAC Name: 2-(2-benzylsulfanyl-4-oxoazetidin-1-yl)acetic acid Traditional Name: 2-[2-(benzylthio)-4-keto-azetidin-1-yl]acetic acid Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C1=O)CC(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

C1C(N(C1=O)CC(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C12H13NO3S/c14-10-6-11(13(10)7-12(15)16)17-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,15,16)