4-methylbenzenesulfonate; 2,3,3-trimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 4-methylbenzenesulfonate; 2,3,3-trimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 4-methylbenzenesulfonate; 2,3,3-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 4-methylbenzenesulfonate; 2,3,3-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: 4-methylbenzenesulfonate; 2,3,3-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-2,3,3-trimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate tosylate Formula: C16H19NO6S2-2 MolecularWeight: 385.45516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(N2C(S1)CC2=O)(C)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(N2C(S1)CC2=O)(C)C(=O)[O-])C

InChI

InChI=1S/C9H13NO3S.C7H8O3S/c1-8(2)9(3,7(12)13)10-5(11)4-6(10)14-8;1-6-2-4-7(5-3-6)11(8,9)10/h6H,4H2,1-3H3,(H,12,13);2-5H,1H3,(H,8,9,10)/p-2