2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-cyanobenzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3-cyanobenzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C17H12N2O5S MolecularWeight: 356.35258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H12N2O5S/c18-11-12-4-3-5-13(10-12)17(21)24-9-8-19-16(20)14-6-1-2-7-15(14)25(19,22)23/h1-7,10H,8-9H2