7-azanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate

Systemtic Name: 7-azanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate Openeye Name: 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate CAS Name: 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate IUPAC Name: 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate Traditional Name: 7-amino-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropionate; tosylate Formula: C20H25N2O8S2-3 MolecularWeight: 485.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)N)SC1)C(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C(=O)[O-]

Isomeric SMILES

CC1=C(N2C(C(C2=O)N)SC1)C(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C(=O)[O-]

InChI

InChI=1S/C8H10N2O3S.C7H8O3S.C5H10O2/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13;1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4(6)7/h4,7H,2,9H2,1H3,(H,12,13);2-5H,1H3,(H,8,9,10);1-3H3,(H,6,7)/p-3