2,2-dimethylpropanoyloxymethyl 7-azanyl-8-oxidanylidene-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 7-azanyl-8-oxidanylidene-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: 2,2-dimethylpropanoyloxymethyl 7-amino-8-oxo-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-8-oxo-3-(prop-2-ynylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester hydrochloride IUPAC Name: 2,2-dimethylpropanoyloxymethyl 7-amino-8-oxo-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-3-(propargylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester hydrochloride Formula: C16H21ClN2O5S2 MolecularWeight: 420.93134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2N)SCC#C.Cl

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2N)SCC#C.Cl

InChI

InChI=1S/C16H20N2O5S2.ClH/c1-5-6-24-9-7-25-13-10(17)12(19)18(13)11(9)14(20)22-8-23-15(21)16(2,3)4;/h1,10,13H,6-8,17H2,2-4H3;1H