cyanomethyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethanoate

Systemtic Name: cyanomethyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethanoate Openeye Name: cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]acetate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]acetic acid cyanomethyl ester Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC#N)C1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CN(CC(=O)OCC#N)C1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C12H11N3O4S/c1-15(8-11(16)19-7-6-13)12-9-4-2-3-5-10(9)20(17,18)14-12/h2-5H,7-8H2,1H3