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

Systemtic Name: (phenylmethyl) 3,3-dimethyl-6-methylsulfinyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3,3-dimethyl-6-methylsulfinyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-6-methylsulfinyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,3-dimethyl-6-methylsulfinyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-methylsulfinyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C24H26N2O5S2 MolecularWeight: 486.60364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5S2/c1-23(2)19(20(28)31-15-17-12-8-5-9-13-17)26-21(29)24(33(3)30,22(26)32-23)25-18(27)14-16-10-6-4-7-11-16/h4-13,19,22H,14-15H2,1-3H3,(H,25,27)