ethyl 3-[[(E)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)prop-2-enoyl]amino]propanoate

Systemtic Name: ethyl 3-[[(E)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)prop-2-enoyl]amino]propanoate Openeye Name: ethyl 3-[[(E)-2-(benzoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[(benzoylthio)methyl]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-(benzoylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(benzoylthio)methyl]-3-phenyl-acryloyl]amino]propionic acid ethyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C(=CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCNC(=O)/C(=C\C1=CC=CC=C1)/CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23NO4S/c1-2-27-20(24)13-14-23-21(25)19(15-17-9-5-3-6-10-17)16-28-22(26)18-11-7-4-8-12-18/h3-12,15H,2,13-14,16H2,1H3,(H,23,25)/b19-15-