6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3H-2-benzofuran-1-one; 4-methylbenzenesulfonate

Systemtic Name: 6-azanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3H-2-benzofuran-1-one; 4-methylbenzenesulfonate Openeye Name: 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3H-isobenzofuran-1-one; 4-methylbenzenesulfonate CAS Name: 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3H-isobenzofuran-1-one; 4-methylbenzenesulfonate IUPAC Name: 6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; 3H-2-benzofuran-1-one; 4-methylbenzenesulfonate Traditional Name: 6-amino-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; phthalide; tosylate Formula: C23H24N2O8S2-2 MolecularWeight: 520.57526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(N2C(S1)C(C2=O)N)C(=O)[O-])C.C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(N2C(S1)C(C2=O)N)C(=O)[O-])C.C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C8H12N2O3S.C8H6O2.C7H8O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8;9-8-7-4-2-1-3-6(7)5-10-8;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6H,9H2,1-2H3,(H,12,13);1-4H,5H2;2-5H,1H3,(H,8,9,10)/p-2