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

Systemtic Name: S-methyl (E)-3-[1-(4-bromophenyl)propylamino]-2-cyano-but-2-enethioate Openeye Name: S-methyl (E)-3-[1-(4-bromophenyl)propylamino]-2-cyano-but-2-enethioate CAS Name: (E)-3-[1-(4-bromophenyl)propylamino]-2-cyano-2-butenethioic acid S-methyl ester IUPAC Name: S-methyl (E)-3-[1-(4-bromophenyl)propylamino]-2-cyanobut-2-enethioate Traditional Name: (E)-3-[1-(4-bromophenyl)propylamino]-2-cyano-but-2-enethioic acid S-methyl ester Formula: C15H17BrN2OS MolecularWeight: 353.27728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2OS/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+