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

Systemtic Name: S-phenacyl 3,3,6-trimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate Openeye Name: S-phenacyl 3,3,6-trimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate CAS Name: 3,3,6-trimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid S-phenacyl ester IUPAC Name: S-phenacyl 3,3,6-trimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioate Traditional Name: 7-keto-3,3,6-trimethyl-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbothioic acid S-phenacyl ester Formula: C25H26N2O5S2 MolecularWeight: 498.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C)NC(=O)COC3=CC=CC=C3)C(=O)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C)NC(=O)COC3=CC=CC=C3)C(=O)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H26N2O5S2/c1-24(2)20(21(30)33-15-18(28)16-10-6-4-7-11-16)27-22(31)25(3,23(27)34-24)26-19(29)14-32-17-12-8-5-9-13-17/h4-13,20,23H,14-15H2,1-3H3,(H,26,29)