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

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propionic acid [4-(methylthio)benzyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NCCC(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NCCC(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H23NO4S/c1-25-18-8-3-16(4-9-18)7-12-20(23)22-14-13-21(24)26-15-17-5-10-19(27-2)11-6-17/h3-12H,13-15H2,1-2H3,(H,22,23)/b12-7+