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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H15FN2O3S MolecularWeight: 382.408103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN2O3S/c21-15-7-8-17-14(11-15)12-18(27-17)20(25)26-13-19(24)23(10-4-9-22)16-5-2-1-3-6-16/h1-3,5-8,11-12H,4,10,13H2