[1-[4-[cyanomethyl(propan-2-yl)carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] methanesulfonate

Systemtic Name: [1-[4-[cyanomethyl(propan-2-yl)carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] methanesulfonate Openeye Name: [1-[4-[cyanomethyl(isopropyl)carbamoyl]thiazol-2-yl]azetidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [1-[4-[[cyanomethyl(propan-2-yl)amino]-oxomethyl]-2-thiazolyl]-3-azetidinyl] ester IUPAC Name: [1-[4-[cyanomethyl(propan-2-yl)carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[4-[cyanomethyl(isopropyl)carbamoyl]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)C1=CSC(=N1)N2CC(C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)N(CC#N)C(=O)C1=CSC(=N1)N2CC(C2)OS(=O)(=O)C

InChI

InChI=1S/C13H18N4O4S2/c1-9(2)17(5-4-14)12(18)11-8-22-13(15-11)16-6-10(7-16)21-23(3,19)20/h8-10H,5-7H2,1-3H3