(4-cyano-2-fluoranyl-phenyl)methyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid (4-cyano-2-fluoro-benzyl) ester Formula: C17H11FN2O5S MolecularWeight: 374.343043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)OCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CC(=O)OCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C17H11FN2O5S/c18-14-7-11(8-19)5-6-12(14)10-25-16(21)9-20-17(22)13-3-1-2-4-15(13)26(20,23)24/h1-7H,9-10H2