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

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

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OCC#N

InChI

InChI=1S/C12H11N3O4S/c13-6-8-19-11(16)5-7-14-12-9-3-1-2-4-10(9)20(17,18)15-12/h1-4H,5,7-8H2,(H,14,15)