S-ethyl (Z)-2-cyano-3-[(phenylmethyl)amino]but-2-enethioate

Systemtic Name: S-ethyl (Z)-2-cyano-3-[(phenylmethyl)amino]but-2-enethioate Openeye Name: S-ethyl (Z)-3-(benzylamino)-2-cyano-but-2-enethioate CAS Name: (Z)-2-cyano-3-[(phenylmethyl)amino]-2-butenethioic acid S-ethyl ester IUPAC Name: S-ethyl (Z)-3-(benzylamino)-2-cyanobut-2-enethioate Traditional Name: (Z)-3-(benzylamino)-2-cyano-but-2-enethioic acid S-ethyl ester Formula: C14H16N2OS MolecularWeight: 260.35464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(=C(C)NCC1=CC=CC=C1)C#N

Isomeric SMILES

CCSC(=O)/C(=C(/C)\NCC1=CC=CC=C1)/C#N

InChI

InChI=1S/C14H16N2OS/c1-3-18-14(17)13(9-15)11(2)16-10-12-7-5-4-6-8-12/h4-8,16H,3,10H2,1-2H3/b13-11-