(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H11FN2O3S MolecularWeight: 318.322843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC2=C(S1)C=CC(=C2)F

InChI

InChI=1S/C15H11FN2O3S/c1-8(18)11(6-17)12(19)7-21-15(20)14-5-9-4-10(16)2-3-13(9)22-14/h2-5,11,18H,7H2,1H3