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

Systemtic Name: [[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]-(4-phenyl-1,3-thiazol-2-yl)methyl] 4-methylbenzenesulfonate Openeye Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-(4-phenylthiazol-2-yl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]-(4-phenyl-2-thiazolyl)methyl] ester IUPAC Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-(4-phenyl-1,3-thiazol-2-yl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]-(4-phenylthiazol-2-yl)methyl] ester Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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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=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2CCCC(C2=O)N3CCC3=O)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O5S2/c1-17-10-12-19(13-11-17)35(31,32)33-25(26-27-21(16-34-26)18-6-3-2-4-7-18)20-8-5-9-22(24(20)30)28-15-14-23(28)29/h2-4,6-7,10-13,16,20,22,25H,5,8-9,14-15H2,1H3