(3,3,6-trimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-2-yl)carbonylsulfanylmethyl hexanoate

Systemtic Name: (3,3,6-trimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptan-2-yl)carbonylsulfanylmethyl hexanoate Openeye Name: (3,3,6-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)sulfanylmethyl hexanoate CAS Name: hexanoic acid [[oxo-(3,3,6-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-2-yl)methyl]thio]methyl ester IUPAC Name: (3,3,6-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)sulfanylmethyl hexanoate Traditional Name: hexanoic acid [(7-keto-3,3,6-trimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)thio]methyl ester Formula: C16H25NO4S2 MolecularWeight: 359.504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCSC(=O)C1C(SC2N1C(=O)C2C)(C)C

Isomeric SMILES

CCCCCC(=O)OCSC(=O)C1C(SC2N1C(=O)C2C)(C)C

InChI

InChI=1S/C16H25NO4S2/c1-5-6-7-8-11(18)21-9-22-15(20)12-16(3,4)23-14-10(2)13(19)17(12)14/h10,12,14H,5-9H2,1-4H3