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

Systemtic Name: iodanylmethyl 6-(azepan-1-ylmethylideneamino)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: iodomethyl 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 iodomethyl ester IUPAC Name: iodomethyl 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 iodomethyl ester Formula: C16H24IN3O3S MolecularWeight: 465.34953

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCI)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)OCI)C

InChI

InChI=1S/C16H24IN3O3S/c1-16(2)12(15(22)23-9-17)20-13(21)11(14(20)24-16)18-10-19-7-5-3-4-6-8-19/h10-12,14H,3-9H2,1-2H3