3-azanyl-1-[4-(methoxymethoxy)phenyl]-3-methylsulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-1-[4-(methoxymethoxy)phenyl]-3-methylsulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-1-[4-(methoxymethoxy)phenyl]-3-methylsulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid CAS Name: 3-amino-1-[4-(methoxymethoxy)phenyl]-3-(methylthio)-2-azetidinone; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-1-[4-(methoxymethoxy)phenyl]-3-methylsulfanylazetidin-2-one; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-1-[4-(methoxymethoxy)phenyl]-3-(methylthio)azetidin-2-one; tosylic acid Formula: C19H24N2O6S2 MolecularWeight: 440.53366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COCOC1=CC=C(C=C1)N2CC(C2=O)(N)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COCOC1=CC=C(C=C1)N2CC(C2=O)(N)SC

InChI

InChI=1S/C12H16N2O3S.C7H8O3S/c1-16-8-17-10-5-3-9(4-6-10)14-7-12(13,18-2)11(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7-8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)