[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H13FN2O3S2 MolecularWeight: 400.446523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F)SCC#N

InChI

InChI=1S/C19H13FN2O3S2/c20-13-5-6-15-12(9-13)10-17(27-15)19(24)25-11-18(23)22-14-3-1-2-4-16(14)26-8-7-21/h1-6,9-10H,8,11H2,(H,22,23)