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

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(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:

CSC1=CC=C(C=C1)COC(=O)CCNC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CCNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H21NO3S/c1-25-18-10-7-17(8-11-18)15-24-20(23)13-14-21-19(22)12-9-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,21,22)/b12-9+