2,2-dimethylpropanoyloxymethyl (6S)-7-azanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: 2,2-dimethylpropanoyloxymethyl (6S)-7-azanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: 2,2-dimethylpropanoyloxymethyl (6S)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid CAS Name: (6S)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6S)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: (6S)-7-amino-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid pivaloyloxymethyl ester; tosylic acid Formula: C21H28N2O8S2 MolecularWeight: 500.58562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCOC(=O)C(C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(N2[C@H](C(C2=O)N)SC1)C(=O)OCOC(=O)C(C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H20N2O5S.C7H8O3S/c1-7-5-22-11-8(15)10(17)16(11)9(7)12(18)20-6-21-13(19)14(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h8,11H,5-6,15H2,1-4H3;2-5H,1H3,(H,8,9,10)/t8?,11-;/m0./s1