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

Systemtic Name: (phenylmethyl) 6-[2-(2-acetamidoethylamino)-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-[2-(2-acetamidoethylamino)-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[2-(2-acetamidoethylamino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[2-(2-acetamidoethylamino)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[2-(2-acetamidoethylamino)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C(C1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NCCNC(=O)C(C1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H27N3O6S/c1-12(25)22-9-10-23-17(27)15(26)14-18(28)24-16(21(2,3)31-19(14)24)20(29)30-11-13-7-5-4-6-8-13/h4-8,14-16,19,26H,9-11H2,1-3H3,(H,22,25)(H,23,27)