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

Systemtic Name: methyl 3-[[(Z)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[[(Z)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(Z)-2-[(acetylthio)methyl]-3-phenyl-acryloyl]amino]propionic acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=CC1=CC=CC=C1)C(=O)NCCC(=O)OC

Isomeric SMILES

CC(=O)SC/C(=C\C1=CC=CC=C1)/C(=O)NCCC(=O)OC

InChI

InChI=1S/C16H19NO4S/c1-12(18)22-11-14(10-13-6-4-3-5-7-13)16(20)17-9-8-15(19)21-2/h3-7,10H,8-9,11H2,1-2H3,(H,17,20)/b14-10+