O-ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]pentanethioate

Systemtic Name: O-ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]pentanethioate Openeye Name: O-ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]pentanethioate CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]pentanethioic acid O-ethyl ester IUPAC Name: O-ethyl 2-[[(E)-3-phenylprop-2-enoyl]amino]pentanethioate Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]pentanethioic acid O-ethyl ester Formula: C16H21NO2S MolecularWeight: 291.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=S)OCC)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CCCC(C(=S)OCC)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C16H21NO2S/c1-3-8-14(16(20)19-4-2)17-15(18)12-11-13-9-6-5-7-10-13/h5-7,9-12,14H,3-4,8H2,1-2H3,(H,17,18)/b12-11+