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

Systemtic Name: ethyl 3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]benzoate Openeye Name: ethyl 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)benzoate CAS Name: 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)benzoate Traditional Name: 3-(1,1,3-triketo-1,2-benzothiazol-2-yl)benzoic acid ethyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H13NO5S/c1-2-22-16(19)11-6-5-7-12(10-11)17-15(18)13-8-3-4-9-14(13)23(17,20)21/h3-10H,2H2,1H3