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

Systemtic Name: methyl 3-[[(E)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)prop-2-enoyl]amino]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[[(E)-2-(benzoylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(benzoylthio)methyl]-3-phenyl-acryloyl]amino]propionic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-26-19(23)12-13-22-20(24)18(14-16-8-4-2-5-9-16)15-27-21(25)17-10-6-3-7-11-17/h2-11,14H,12-13,15H2,1H3,(H,22,24)/b18-14-