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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H15FN2O3S MolecularWeight: 346.376003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C17H15FN2O3S/c18-12-3-4-13-11(7-12)8-14(24-13)16(22)23-9-15(21)20-17(10-19)5-1-2-6-17/h3-4,7-8H,1-2,5-6,9H2,(H,20,21)