(6R,7R)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-methylbenzenesulfonic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-methylbenzenesulfonic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-methylbenzenesulfonic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-methylbenzenesulfonic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 4-methylbenzenesulfonic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; tosylic acid Formula: C17H20N2O8S2 MolecularWeight: 444.4793

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)OCC1=C(N2C(C(C2=O)N)SC1)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O

InChI

InChI=1S/C10H12N2O5S.C7H8O3S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16;1-6-2-4-7(5-3-6)11(8,9)10/h6,9H,2-3,11H2,1H3,(H,15,16);2-5H,1H3,(H,8,9,10)/t6-,9-;/m1./s1