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

Systemtic Name: 1-cyanoethyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate Openeye Name: 1-cyanoethyl 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 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 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 1-cyanoethyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H13N3O4S/c1-11(10-18)24-17(21)12-6-8-13(9-7-12)19-16-14-4-2-3-5-15(14)25(22,23)20-16/h2-9,11H,1H3,(H,19,20)