4-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate

Systemtic Name: 4-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate Openeye Name: 4-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate CAS Name: 4-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate IUPAC Name: 4-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonate Traditional Name: 4-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate tosylate Formula: C14H14N2O6S2-2 MolecularWeight: 370.40076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C2N(C1=O)C(=CC(S2)N)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C2N(C1=O)C(=CC(S2)N)C(=O)[O-]

InChI

InChI=1S/C7H8N2O3S.C7H8O3S/c8-4-1-3(7(11)12)9-5(10)2-6(9)13-4;1-6-2-4-7(5-3-6)11(8,9)10/h1,4,6H,2,8H2,(H,11,12);2-5H,1H3,(H,8,9,10)/p-2