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

Systemtic Name: 3,3-dimethyl-7-oxidanylidene-6-[1-oxidanyl-2-oxidanylidene-2-[phenyl-(phenylmethyl)amino]ethyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[2-(N-benzylanilino)-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[1-hydroxy-2-oxo-2-(N-(phenylmethyl)anilino)ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[2-(N-benzylanilino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[2-(N-benzylanilino)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S/c1-23(2)18(22(29)30)25-19(27)16(21(25)31-23)17(26)20(28)24(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12,16-18,21,26H,13H2,1-2H3,(H,29,30)