[1,3-benzothiazol-2-yl-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [1,3-benzothiazol-2-yl-[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Openeye Name: [1,3-benzothiazol-2-yl-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1,3-benzothiazol-2-yl-[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]methyl] ester IUPAC Name: [1,3-benzothiazol-2-yl-[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1,3-benzothiazol-2-yl-[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]methyl] ester Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC(C2=O)N3CCC3=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC(C2=O)N3CCC3=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N2O5S2/c1-15-9-11-16(12-10-15)33(29,30)31-23(24-25-18-6-2-3-8-20(18)32-24)17-5-4-7-19(22(17)28)26-14-13-21(26)27/h2-3,6,8-12,17,19,23H,4-5,7,13-14H2,1H3