[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C15H13FN2O3S MolecularWeight: 320.338723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC2=C(C=CC=C2S1)F

InChI

InChI=1S/C15H13FN2O3S/c1-18(7-3-6-17)14(19)9-21-15(20)13-8-10-11(16)4-2-5-12(10)22-13/h2,4-5,8H,3,7,9H2,1H3