2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-3-phenyl-propanoate

Systemtic Name: 2-(2-methylsulfanyl-4-oxidanylidene-azetidin-1-yl)-3-phenyl-propanoate Openeye Name: 2-(2-methylsulfanyl-4-oxo-azetidin-1-yl)-3-phenyl-propanoate CAS Name: 2-[2-(methylthio)-4-oxo-1-azetidinyl]-3-phenylpropanoate IUPAC Name: 2-(2-methylsulfanyl-4-oxoazetidin-1-yl)-3-phenylpropanoate Traditional Name: 2-[2-keto-4-(methylthio)azetidin-1-yl]-3-phenyl-propionate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(=O)N1C(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CSC1CC(=O)N1C(CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c1-18-12-8-11(15)14(12)10(13(16)17)7-9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3,(H,16,17)/p-1