[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-thiophenecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H13FN2O3S MolecularWeight: 332.349423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(S2)C(=O)OCC(=O)NCCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(S2)C(=O)OCC(=O)NCCC#N)F

InChI

InChI=1S/C16H13FN2O3S/c17-12-4-2-11(3-5-12)13-6-7-14(23-13)16(21)22-10-15(20)19-9-1-8-18/h2-7H,1,9-10H2,(H,19,20)