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

Systemtic Name: 2-oxidanylidenepropyl (6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: acetonyl (6R)-6-(azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (6R)-6-(1-azepanylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl (6R)-6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (6R)-6-(azepan-1-ylmethyleneamino)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid acetonyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1C(SC2N1C(=O)C2N=CN3CCCCCC3)(C)C

Isomeric SMILES

CC(=O)COC(=O)C1C(SC2N1C(=O)[C@H]2N=CN3CCCCCC3)(C)C

InChI

InChI=1S/C18H27N3O4S/c1-12(22)10-25-17(24)14-18(2,3)26-16-13(15(23)21(14)16)19-11-20-8-6-4-5-7-9-20/h11,13-14,16H,4-10H2,1-3H3/t13-,14?,16?/m1/s1