4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-2-ynyl ethanoate

Systemtic Name: 4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]but-2-ynyl ethanoate Openeye Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-ynyl acetate CAS Name: acetic acid 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-ynyl ester IUPAC Name: 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)but-2-ynyl acetate Traditional Name: acetic acid 4-(1,1,3-triketo-1,2-benzothiazol-2-yl)but-2-ynyl ester Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCN1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(=O)OCC#CCN1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H11NO5S/c1-10(15)19-9-5-4-8-14-13(16)11-6-2-3-7-12(11)20(14,17)18/h2-3,6-7H,8-9H2,1H3