N-propan-2-ylmethanamide; [1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate

Systemtic Name: N-propan-2-ylmethanamide; [1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate Openeye Name: N-isopropylformamide; (1-thiazol-2-ylazetidin-3-yl) methanesulfonate CAS Name: methanesulfonic acid [1-(2-thiazolyl)-3-azetidinyl] ester; N-propan-2-ylformamide IUPAC Name: N-propan-2-ylformamide; [1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate Traditional Name: N-isopropylformamide; methanesulfonic acid (1-thiazol-2-ylazetidin-3-yl) ester Formula: C11H19N3O4S2 MolecularWeight: 321.41626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC=O.CS(=O)(=O)OC1CN(C1)C2=NC=CS2

Isomeric SMILES

CC(C)NC=O.CS(=O)(=O)OC1CN(C1)C2=NC=CS2

InChI

InChI=1S/C7H10N2O3S2.C4H9NO/c1-14(10,11)12-6-4-9(5-6)7-8-2-3-13-7;1-4(2)5-3-6/h2-3,6H,4-5H2,1H3;3-4H,1-2H3,(H,5,6)