[2-[cyanomethyl(propan-2-yl)carbamoyl]-1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate

Systemtic Name: [2-[cyanomethyl(propan-2-yl)carbamoyl]-1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate Openeye Name: [2-[cyanomethyl(isopropyl)carbamoyl]-1-thiazol-2-yl-azetidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[[cyanomethyl(propan-2-yl)amino]-oxomethyl]-1-(2-thiazolyl)-3-azetidinyl] ester IUPAC Name: [2-[cyanomethyl(propan-2-yl)carbamoyl]-1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[cyanomethyl(isopropyl)carbamoyl]-1-thiazol-2-yl-azetidin-3-yl] ester Formula: C13H18N4O4S2 MolecularWeight: 358.43642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC#N)C(=O)C1C(CN1C2=NC=CS2)OS(=O)(=O)C

Isomeric SMILES

CC(C)N(CC#N)C(=O)C1C(CN1C2=NC=CS2)OS(=O)(=O)C

InChI

InChI=1S/C13H18N4O4S2/c1-9(2)16(6-4-14)12(18)11-10(21-23(3,19)20)8-17(11)13-15-5-7-22-13/h5,7,9-11H,6,8H2,1-3H3