(phenylmethyl) 6-isocyano-3,3-dimethyl-7-oxidanylidene-6-phenacyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 6-isocyano-3,3-dimethyl-7-oxidanylidene-6-phenacyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-isocyano-3,3-dimethyl-7-oxo-6-phenacyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-isocyano-3,3-dimethyl-7-oxo-6-phenacyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-isocyano-3,3-dimethyl-7-oxo-6-phenacyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-isocyano-7-keto-3,3-dimethyl-6-phenacyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(CC(=O)C3=CC=CC=C3)[N+]#[C-])C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(CC(=O)C3=CC=CC=C3)[N+]#[C-])C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O4S/c1-23(2)19(20(28)30-15-16-10-6-4-7-11-16)26-21(29)24(25-3,22(26)31-23)14-18(27)17-12-8-5-9-13-17/h4-13,19,22H,14-15H2,1-2H3