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

Systemtic Name: cyanomethyl 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid cyanomethyl ester Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC#N)NC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C(=O)OCC#N)NC1=NS(=O)(=O)C2=CC=CC=C21

InChI

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