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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(3,4-difluorophenyl)sulfanylpropanoate CAS Name: 3-[(3,4-difluorophenyl)thio]propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(3,4-difluorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H14F2N2O3S MolecularWeight: 340.345066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCSC1=CC(=C(C=C1)F)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCSC1=CC(=C(C=C1)F)F

InChI

InChI=1S/C15H14F2N2O3S/c1-9(19)11(7-18)14(20)8-22-15(21)4-5-23-10-2-3-12(16)13(17)6-10/h2-3,6,11,19H,4-5,8H2,1H3