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

Systemtic Name: S-ethyl (E)-3-[1-(4-bromophenyl)propylamino]-2-cyano-but-2-enethioate Openeye Name: S-ethyl (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-ethyl ester IUPAC Name: S-ethyl (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-ethyl ester Formula: C16H19BrN2OS MolecularWeight: 367.30386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2OS/c1-4-15(12-6-8-13(17)9-7-12)19-11(3)14(10-18)16(20)21-5-2/h6-9,15,19H,4-5H2,1-3H3/b14-11+