7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate hydrochloride

Systemtic Name: 7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate hydrochloride Openeye Name: 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate hydrochloride CAS Name: 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate hydrochloride IUPAC Name: 7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate hydrochloride Traditional Name: 8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate dihydrate hydrochloride Formula: C8H13ClNO5S- MolecularWeight: 270.71052

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].O.O.Cl

Isomeric SMILES

CC1C2N(C1=O)C(=CCS2)C(=O)[O-].O.O.Cl

InChI

InChI=1S/C8H9NO3S.ClH.2H2O/c1-4-6(10)9-5(8(11)12)2-3-13-7(4)9;;;/h2,4,7H,3H2,1H3,(H,11,12);1H;2*1H2/p-1