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

Systemtic Name: ethyl 3-[[(E)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate Openeye Name: ethyl 3-[[(E)-2-(acetylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[(acetylthio)methyl]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(acetylthio)methyl]-3-phenyl-acryloyl]amino]propionic acid ethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4S/c1-3-22-16(20)9-10-18-17(21)15(12-23-13(2)19)11-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3,(H,18,21)/b15-11-