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

Systemtic Name: 3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate Openeye Name: 3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate CAS Name: 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate IUPAC Name: 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropanoate; 4-methylbenzenesulfonate Traditional Name: 3-(acetoxymethyl)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2,2-dimethylpropionate; tosylate Formula: C22H27N2O10S2-3 MolecularWeight: 543.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)[O-].CC(C)(C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)[O-].CC(C)(C)C(=O)[O-]

InChI

InChI=1S/C10H12N2O5S.C7H8O3S.C5H10O2/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16;1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4(6)7/h6,9H,2-3,11H2,1H3,(H,15,16);2-5H,1H3,(H,8,9,10);1-3H3,(H,6,7)/p-3