ethoxycarbonyloxymethyl 6-(azocan-1-ylmethylideneamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: ethoxycarbonyloxymethyl 6-(azocan-1-ylmethylideneamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: ethoxycarbonyloxymethyl 6-(azocan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-azocanylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ethoxycarbonyloxymethyl ester IUPAC Name: ethoxycarbonyloxymethyl 6-(azocan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(azocan-1-ylmethyleneamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carbethoxyoxymethyl ester Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCOC(=O)C1C(SC2N1C(=O)C2N=CN3CCCCCCC3)(C)C

Isomeric SMILES

CCOC(=O)OCOC(=O)C1C(SC2N1C(=O)C2N=CN3CCCCCCC3)(C)C

InChI

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