S-methyl (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioate

Systemtic Name: S-methyl (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioate Openeye Name: S-methyl (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioate CAS Name: (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]-2-butenethioic acid S-methyl ester IUPAC Name: S-methyl (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioate Traditional Name: (E)-2-cyano-3-[1-(4-fluorophenyl)propylamino]but-2-enethioic acid S-methyl ester Formula: C15H17FN2OS MolecularWeight: 292.371683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)F)NC(=C(C#N)C(=O)SC)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)F)N/C(=C(\C#N)/C(=O)SC)/C

InChI

InChI=1S/C15H17FN2OS/c1-4-14(11-5-7-12(16)8-6-11)18-10(2)13(9-17)15(19)20-3/h5-8,14,18H,4H2,1-3H3/b13-10+