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

Systemtic Name: (phenylmethyl) 6-acetamido-6-methoxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-acetamido-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-acetamido-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-acetamido-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-acetamido-7-keto-6-methoxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)NC1(C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C18H22N2O5S/c1-11(21)19-18(24-4)15(23)20-13(17(2,3)26-16(18)20)14(22)25-10-12-8-6-5-7-9-12/h5-9,13,16H,10H2,1-4H3,(H,19,21)