(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[2,5-bis(fluoranyl)phenyl]sulfanylethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2,5-difluorophenyl)sulfanylacetate CAS Name: 2-[(2,5-difluorophenyl)thio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2,5-difluorophenyl)sulfanylacetate Traditional Name: 2-[(2,5-difluorophenyl)thio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H12F2N2O3S MolecularWeight: 326.318486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=C(C=CC(=C1)F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C14H12F2N2O3S/c1-8(18)10(5-17)12(19)6-21-14(20)7-22-13-4-9(15)2-3-11(13)16/h2-4,10,18H,6-7H2,1H3