phenacyl 6-acetamido-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate

Systemtic Name: phenacyl 6-acetamido-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate Openeye Name: phenacyl 6-acetamido-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate CAS Name: 6-acetamido-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid phenacyl ester IUPAC Name: phenacyl 6-acetamido-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylate Traditional Name: 6-acetamido-7-keto-3,3-dimethyl-4-thia-1-azoniabicyclo[3.2.0]heptane-1-carboxylic acid phenacyl ester Formula: C18H21N2O5S+ MolecularWeight: 377.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2[N+](C1=O)(CC(S2)(C)C)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1C2[N+](C1=O)(CC(S2)(C)C)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O5S/c1-11(21)19-14-15(23)20(10-18(2,3)26-16(14)20)17(24)25-9-13(22)12-7-5-4-6-8-12/h4-8,14,16H,9-10H2,1-3H3/p+1