[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C14H11FN2O3S MolecularWeight: 306.312143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C=C(S2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC2=C(C=C1F)C=C(S2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H11FN2O3S/c15-10-2-3-11-9(6-10)7-12(21-11)14(19)20-8-13(18)17-5-1-4-16/h2-3,6-7H,1,5,8H2,(H,17,18)