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

Systemtic Name: (phenylmethyl) 3,3-dimethyl-7-oxidanylidene-6-(1-oxidanyl-2-phenyl-ethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-(1-hydroxy-2-phenyl-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-hydroxy-2-phenylethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(1-hydroxy-2-phenylethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(1-hydroxy-2-phenyl-ethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(CC3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(CC3=CC=CC=C3)O)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H25NO4S/c1-23(2)19(22(27)28-14-16-11-7-4-8-12-16)24-20(26)18(21(24)29-23)17(25)13-15-9-5-3-6-10-15/h3-12,17-19,21,25H,13-14H2,1-2H3