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

Systemtic Name: ethoxycarbonyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: ethoxycarbonyloxymethyl 6-(azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-azepanylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ethoxycarbonyloxymethyl ester IUPAC Name: ethoxycarbonyloxymethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(azepan-1-ylmethyleneamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carbethoxyoxymethyl ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCOC(=O)C1C(SC2N1C(=O)C2N=CN3CCCCCC3)(C)C

Isomeric SMILES

CCOC(=O)OCOC(=O)C1C(SC2N1C(=O)C2N=CN3CCCCCC3)(C)C

InChI

InChI=1S/C19H29N3O6S/c1-4-26-18(25)28-12-27-17(24)14-19(2,3)29-16-13(15(23)22(14)16)20-11-21-9-7-5-6-8-10-21/h11,13-14,16H,4-10,12H2,1-3H3