2-[1,2-benzothiazol-3-ylcarbonyl(methyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[1,2-benzothiazol-3-ylcarbonyl(methyl)amino]ethyl methanesulfonate Openeye Name: 2-[1,2-benzothiazole-3-carbonyl(methyl)amino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[[1,2-benzothiazol-3-yl(oxo)methyl]-methylamino]ethyl ester IUPAC Name: 2-[1,2-benzothiazole-3-carbonyl(methyl)amino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1,2-benzothiazole-3-carbonyl(methyl)amino]ethyl ester Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOS(=O)(=O)C)C(=O)C1=NSC2=CC=CC=C21

Isomeric SMILES

CN(CCOS(=O)(=O)C)C(=O)C1=NSC2=CC=CC=C21

InChI

InChI=1S/C12H14N2O4S2/c1-14(7-8-18-20(2,16)17)12(15)11-9-5-3-4-6-10(9)19-13-11/h3-6H,7-8H2,1-2H3