[2-[(2-azanyl-2-oxidanylidene-ethyl)-propan-2-yl-carbamoyl]-1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)-propan-2-yl-carbamoyl]-1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate Openeye Name: [2-[(2-amino-2-oxo-ethyl)-isopropyl-carbamoyl]-1-thiazol-2-yl-azetidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-[[(2-amino-2-oxoethyl)-propan-2-ylamino]-oxomethyl]-1-(2-thiazolyl)-3-azetidinyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-1-(1,3-thiazol-2-yl)azetidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(2-amino-2-keto-ethyl)-isopropyl-carbamoyl]-1-thiazol-2-yl-azetidin-3-yl] ester Formula: C13H20N4O5S2 MolecularWeight: 376.4517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O5S2/c1-8(2)16(7-10(14)18)12(19)11-9(22-24(3,20)21)6-17(11)13-15-4-5-23-13/h4-5,8-9,11H,6-7H2,1-3H3,(H2,14,18)