(phenylmethyl) 4-[[(Z)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]butanoate

Systemtic Name: (phenylmethyl) 4-[[(Z)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]butanoate Openeye Name: benzyl 4-[[(Z)-2-(acetylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]butanoate CAS Name: 4-[[(Z)-2-[(acetylthio)methyl]-1-oxo-3-phenylprop-2-enyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[(Z)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]butanoate Traditional Name: 4-[[(Z)-2-[(acetylthio)methyl]-3-phenyl-acryloyl]amino]butyric acid benzyl ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=CC1=CC=CC=C1)C(=O)NCCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)SC/C(=C\C1=CC=CC=C1)/C(=O)NCCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H25NO4S/c1-18(25)29-17-21(15-19-9-4-2-5-10-19)23(27)24-14-8-13-22(26)28-16-20-11-6-3-7-12-20/h2-7,9-12,15H,8,13-14,16-17H2,1H3,(H,24,27)/b21-15+