2,2-dimethylpropanoic acid; 4-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride

Systemtic Name: 2,2-dimethylpropanoic acid; 4-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride Openeye Name: 2,2-dimethylpropanoic acid; 4-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride CAS Name: 2,2-dimethylpropanoic acid; 4-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride IUPAC Name: 2,2-dimethylpropanoic acid; 4-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride Traditional Name: 2,2-dimethylpropionic acid; 4-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; hydrochloride Formula: C12H17ClNO5S- MolecularWeight: 322.78508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)O.C1CN2C1SC(=O)C=C2C(=O)[O-].Cl

Isomeric SMILES

CC(C)(C)C(=O)O.C1CN2C1SC(=O)C=C2C(=O)[O-].Cl

InChI

InChI=1S/C7H7NO3S.C5H10O2.ClH/c9-6-3-4(7(10)11)8-2-1-5(8)12-6;1-5(2,3)4(6)7;/h3,5H,1-2H2,(H,10,11);1-3H3,(H,6,7);1H/p-1