(2Z)-7-azanyl-2-[(diphenylmethyl)oxy-oxidanyl-methylidene]-5-thia-1-azabicyclo[4.2.0]octane-3,8-dione; 4-methylbenzenesulfonic acid

Systemtic Name: (2Z)-7-azanyl-2-[(diphenylmethyl)oxy-oxidanyl-methylidene]-5-thia-1-azabicyclo[4.2.0]octane-3,8-dione; 4-methylbenzenesulfonic acid Openeye Name: (2Z)-7-amino-2-[benzhydryloxy(hydroxy)methylene]-5-thia-1-azabicyclo[4.2.0]octane-3,8-dione; 4-methylbenzenesulfonic acid CAS Name: (2Z)-7-amino-2-[(diphenylmethyl)oxy-hydroxymethylidene]-5-thia-1-azabicyclo[4.2.0]octane-3,8-dione; 4-methylbenzenesulfonic acid IUPAC Name: (2Z)-7-amino-2-[benzhydryloxy(hydroxy)methylidene]-5-thia-1-azabicyclo[4.2.0]octane-3,8-dione; 4-methylbenzenesulfonic acid Traditional Name: (2Z)-7-amino-2-[benzhydryloxy(hydroxy)methylene]-5-thia-1-azabicyclo[4.2.0]octane-3,8-quinone; tosylic acid Formula: C27H26N2O7S2 MolecularWeight: 554.63454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(=O)C(=C(O)OC(C2=CC=CC=C2)C3=CC=CC=C3)N4C(S1)C(C4=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1C(=O)/C(=C(\O)/OC(C2=CC=CC=C2)C3=CC=CC=C3)/N4C(S1)C(C4=O)N

InChI

InChI=1S/C20H18N2O4S.C7H8O3S/c21-15-18(24)22-16(14(23)11-27-19(15)22)20(25)26-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,15,17,19,25H,11,21H2;2-5H,1H3,(H,8,9,10)/b20-16-;