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

Systemtic Name: S-methyl (E)-2-cyano-3-[1-(4-fluorophenyl)ethylamino]but-2-enethioate Openeye Name: S-methyl (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-methyl ester IUPAC Name: S-methyl (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-methyl ester Formula: C14H15FN2OS MolecularWeight: 278.345103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15FN2OS/c1-9(11-4-6-12(15)7-5-11)17-10(2)13(8-16)14(18)19-3/h4-7,9,17H,1-3H3/b13-10+