1-ethoxycarbonyloxyethyl 6-(azepan-1-ium-1-ylidenemethylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 6-(azepan-1-ium-1-ylidenemethylamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 6-(azepan-1-ium-1-ylidenemethylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-azepan-1-iumylidenemethylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 6-(azepan-1-ium-1-ylidenemethylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(azepan-1-ium-1-ylidenemethylamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C20H32N3O6S+ MolecularWeight: 442.54958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2NC=[N+]3CCCCCC3)(C)C

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1C(SC2N1C(=O)C2NC=[N+]3CCCCCC3)(C)C

InChI

InChI=1S/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/p+1