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

Systemtic Name: (phenylmethyl) 6-azanyl-3,3-dimethyl-7-oxidanylidene-6-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-amino-6-benzyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-amino-3,3-dimethyl-7-oxo-6-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-6-benzyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-amino-6-benzyl-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-21(2)17(18(25)27-14-16-11-7-4-8-12-16)24-19(26)22(23,20(24)28-21)13-15-9-5-3-6-10-15/h3-12,17,20H,13-14,23H2,1-2H3