(4-methylsulfanylphenyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-phenylacryloyl]amino]propionic acid [4-(methylthio)benzyl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=C(C=C1)SC)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S/c1-15(21-19(22)13-10-16-6-4-3-5-7-16)20(23)24-14-17-8-11-18(25-2)12-9-17/h3-13,15H,14H2,1-2H3,(H,21,22)/b13-10+/t15-/m0/s1