(4-chlorophenyl)methyl 3-oxidanylidene-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 3-oxidanylidene-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate Openeye Name: (4-chlorophenyl)methyl 3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate CAS Name: 3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate Traditional Name: 3-keto-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid (4-chlorobenzyl) ester Formula: C13H12ClNO3S MolecularWeight: 297.75728

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C1C(=O)S2)C(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C2CN(C1C(=O)S2)C(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClNO3S/c14-9-3-1-8(2-4-9)7-18-13(17)15-6-10-5-11(15)12(16)19-10/h1-4,10-11H,5-7H2