S-prop-2-enyl (E)-2-cyano-3-[1-(4-fluorophenyl)ethylamino]but-2-enethioate

Systemtic Name: S-prop-2-enyl (E)-2-cyano-3-[1-(4-fluorophenyl)ethylamino]but-2-enethioate Openeye Name: S-allyl (E)-2-cyano-3-[1-(4-fluorophenyl)ethylamino]but-2-enethioate CAS Name: (E)-2-cyano-3-[1-(4-fluorophenyl)ethylamino]-2-butenethioic acid S-prop-2-enyl ester IUPAC Name: S-prop-2-enyl (E)-2-cyano-3-[1-(4-fluorophenyl)ethylamino]but-2-enethioate Traditional Name: (E)-2-cyano-3-[1-(4-fluorophenyl)ethylamino]but-2-enethioic acid S-allyl ester Formula: C16H17FN2OS MolecularWeight: 304.382383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=C(C#N)C(=O)SCC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2OS/c1-4-9-21-16(20)15(10-18)12(3)19-11(2)13-5-7-14(17)8-6-13/h4-8,11,19H,1,9H2,2-3H3/b15-12+