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

Systemtic Name: (phenylmethyl) 3-[[(Z)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate Openeye Name: benzyl 3-[[(Z)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate CAS Name: 3-[[(Z)-2-[[(2,2-dimethyl-1-oxopropyl)thio]methyl]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(Z)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(Z)-3-phenyl-2-[(pivaloylthio)methyl]acryloyl]amino]propionic acid benzyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4S/c1-25(2,3)24(29)31-18-21(16-19-10-6-4-7-11-19)23(28)26-15-14-22(27)30-17-20-12-8-5-9-13-20/h4-13,16H,14-15,17-18H2,1-3H3,(H,26,28)/b21-16+