[(2R)-2-(4-methylpent-3-enyl)-4-oxidanylidene-azetidin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-(4-methylpent-3-enyl)-4-oxidanylidene-azetidin-1-yl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-(4-methylpent-3-enyl)-4-oxo-azetidin-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-(4-methylpent-3-enyl)-4-oxo-1-azetidinyl] ester IUPAC Name: [(2R)-2-(4-methylpent-3-enyl)-4-oxoazetidin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4R)-2-keto-4-(4-methylpent-3-enyl)azetidin-1-yl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(CC2=O)CCC=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2[C@@H](CC2=O)CCC=C(C)C

InChI

InChI=1S/C16H21NO4S/c1-12(2)5-4-6-14-11-16(18)17(14)21-22(19,20)15-9-7-13(3)8-10-15/h5,7-10,14H,4,6,11H2,1-3H3/t14-/m1/s1