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

Systemtic Name: (phenylmethyl) 6-ethoxy-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-ethoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-ethoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-ethoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-ethoxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1C2N(C1=O)C(C(S2)(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H21NO4S/c1-4-21-12-14(19)18-13(17(2,3)23-15(12)18)16(20)22-10-11-8-6-5-7-9-11/h5-9,12-13,15H,4,10H2,1-3H3