cyanomethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate

Systemtic Name: cyanomethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate Openeye Name: cyanomethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]benzoic acid cyanomethyl ester Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)C(=O)OCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC=C(C=C3)C(=O)OCC#N

InChI

InChI=1S/C16H11N3O4S/c17-9-10-23-16(20)11-5-7-12(8-6-11)18-15-13-3-1-2-4-14(13)24(21,22)19-15/h1-8H,10H2,(H,18,19)