(phenylmethyl) 3-[[(Z)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[(Z)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate Openeye Name: benzyl 3-[[(Z)-2-(acetylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate CAS Name: 3-[[(Z)-2-[(acetylthio)methyl]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(Z)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(Z)-2-[(acetylthio)methyl]-3-phenyl-acryloyl]amino]propionic acid benzyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=CC1=CC=CC=C1)C(=O)NCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SC/C(=C\C1=CC=CC=C1)/C(=O)NCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23NO4S/c1-17(24)28-16-20(14-18-8-4-2-5-9-18)22(26)23-13-12-21(25)27-15-19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3,(H,23,26)/b20-14+