[3-chloranyl-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]azanium

Systemtic Name: [3-chloranyl-2-(diphenylmethyl)oxycarbonyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]azanium Openeye Name: (2-benzhydryloxycarbonyl-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)ammonium CAS Name: [3-chloro-2-[(diphenylmethyl)oxy-oxomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]ammonium IUPAC Name: (2-benzhydryloxycarbonyl-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)azanium Traditional Name: (2-benzhydryloxycarbonyl-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)ammonium Formula: C20H18ClN2O3S+ MolecularWeight: 401.88652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)[NH3+])C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)[NH3+])C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H17ClN2O3S/c21-14-11-27-19-15(22)18(24)23(19)16(14)20(25)26-17(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,17,19H,11,22H2/p+1