tert-butyl 3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: tert-butyl 3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: tert-butyl 3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester hydrochloride IUPAC Name: tert-butyl 3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 3-(acetoxymethyl)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester hydrochloride Formula: C14H21ClN2O5S MolecularWeight: 364.84494

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C.Cl

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C.Cl

InChI

InChI=1S/C14H20N2O5S.ClH/c1-7(17)20-5-8-6-22-12-9(15)11(18)16(12)10(8)13(19)21-14(2,3)4;/h9,12H,5-6,15H2,1-4H3;1H