2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic 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 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C18H12FNO5S2 MolecularWeight: 405.419983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C18H12FNO5S2/c19-12-5-6-14-11(9-12)10-15(26-14)18(22)25-8-7-20-17(21)13-3-1-2-4-16(13)27(20,23)24/h1-6,9-10H,7-8H2