[(4R)-2-oxidanylidene-4-[2-(phenylmethoxycarbonylamino)ethyl]azetidin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [(4R)-2-oxidanylidene-4-[2-(phenylmethoxycarbonylamino)ethyl]azetidin-1-yl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[2-(benzyloxycarbonylamino)ethyl]-4-oxo-azetidin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R)-2-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]-1-azetidinyl] ester IUPAC Name: [(4R)-2-oxo-4-[2-(phenylmethoxycarbonylamino)ethyl]azetidin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-[2-(benzyloxycarbonylamino)ethyl]-4-keto-azetidin-1-yl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CC2=O)CCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2[C@@H](CC2=O)CCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-15-7-9-18(10-8-15)29(25,26)28-22-17(13-19(22)23)11-12-21-20(24)27-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)/t17-/m1/s1