[(1S,4R,6R)-4-methylsulfonyloxy-6-(phenylmethoxycarbonylamino)cyclohept-2-en-1-yl] ethanoate

Systemtic Name: [(1S,4R,6R)-4-methylsulfonyloxy-6-(phenylmethoxycarbonylamino)cyclohept-2-en-1-yl] ethanoate Openeye Name: [(1S,4R,6R)-6-(benzyloxycarbonylamino)-4-methylsulfonyloxy-cyclohept-2-en-1-yl] acetate CAS Name: acetic acid [(1S,4R,6R)-4-methylsulfonyloxy-6-(phenylmethoxycarbonylamino)-1-cyclohept-2-enyl] ester IUPAC Name: [(1S,4R,6R)-4-methylsulfonyloxy-6-(phenylmethoxycarbonylamino)cyclohept-2-en-1-yl] acetate Traditional Name: acetic acid [(1S,4R,6R)-6-(benzyloxycarbonylamino)-4-methylsulfonyloxy-cyclohept-2-en-1-yl] ester Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC(C=C1)OS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](C[C@H](C=C1)OS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO7S/c1-13(20)25-16-8-9-17(26-27(2,22)23)11-15(10-16)19-18(21)24-12-14-6-4-3-5-7-14/h3-9,15-17H,10-12H2,1-2H3,(H,19,21)/t15-,16-,17+/m1/s1