S-(phenylmethyl) 3,3,6-trimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate

Systemtic Name: S-(phenylmethyl) 3,3,6-trimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate Openeye Name: S-benzyl 3,3,6-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate CAS Name: 3,3,6-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3,3,6-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate Traditional Name: 7-keto-3,3,6-trimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid S-benzyl ester Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2N(C1=O)C(C(S2)(C)C)C(=O)SCC3=CC=CC=C3

Isomeric SMILES

CC1C2N(C1=O)C(C(S2)(C)C)C(=O)SCC3=CC=CC=C3

InChI

InChI=1S/C16H19NO2S2/c1-10-13(18)17-12(16(2,3)21-14(10)17)15(19)20-9-11-7-5-4-6-8-11/h4-8,10,12,14H,9H2,1-3H3