ethyl 3-[[(E)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate

Systemtic Name: ethyl 3-[[(E)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate Openeye Name: ethyl 3-[[(E)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[[(2,2-dimethyl-1-oxopropyl)thio]methyl]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenyl-2-[(pivaloylthio)methyl]acryloyl]amino]propionic acid ethyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C(=CC1=CC=CC=C1)CSC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCNC(=O)/C(=C\C1=CC=CC=C1)/CSC(=O)C(C)(C)C

InChI

InChI=1S/C20H27NO4S/c1-5-25-17(22)11-12-21-18(23)16(13-15-9-7-6-8-10-15)14-26-19(24)20(2,3)4/h6-10,13H,5,11-12,14H2,1-4H3,(H,21,23)/b16-13-