3-azanyl-4-methylsulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3-azanyl-4-methylsulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid Openeye Name: 3-amino-4-methylsulfanyl-azetidin-2-one; 4-methylbenzenesulfonic acid CAS Name: 3-amino-4-(methylthio)-2-azetidinone; 4-methylbenzenesulfonic acid IUPAC Name: 3-amino-4-methylsulfanylazetidin-2-one; 4-methylbenzenesulfonic acid Traditional Name: 3-amino-4-(methylthio)azetidin-2-one; tosylic acid Formula: C11H16N2O4S2 MolecularWeight: 304.38574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CSC1C(C(=O)N1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CSC1C(C(=O)N1)N

InChI

InChI=1S/C7H8O3S.C4H8N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-4-2(5)3(7)6-4/h2-5H,1H3,(H,8,9,10);2,4H,5H2,1H3,(H,6,7)