[[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]-(4-pyridin-4-ylthiophen-2-yl)methyl] methanesulfonate

Systemtic Name: [[2-oxidanylidene-3-(2-oxidanylideneazetidin-1-yl)cyclohexyl]-(4-pyridin-4-ylthiophen-2-yl)methyl] methanesulfonate Openeye Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-[4-(4-pyridyl)-2-thienyl]methyl] methanesulfonate CAS Name: methanesulfonic acid [[2-oxo-3-(2-oxo-1-azetidinyl)cyclohexyl]-(4-pyridin-4-yl-2-thiophenyl)methyl] ester IUPAC Name: [[2-oxo-3-(2-oxoazetidin-1-yl)cyclohexyl]-(4-pyridin-4-ylthiophen-2-yl)methyl] methanesulfonate Traditional Name: methanesulfonic acid [[2-keto-3-(2-ketoazetidin-1-yl)cyclohexyl]-[4-(4-pyridyl)-2-thienyl]methyl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(C1CCCC(C1=O)N2CCC2=O)C3=CC(=CS3)C4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)OC(C1CCCC(C1=O)N2CCC2=O)C3=CC(=CS3)C4=CC=NC=C4

InChI

InChI=1S/C20H22N2O5S2/c1-29(25,26)27-20(17-11-14(12-28-17)13-5-8-21-9-6-13)15-3-2-4-16(19(15)24)22-10-7-18(22)23/h5-6,8-9,11-12,15-16,20H,2-4,7,10H2,1H3