(phenylmethyl) 4-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: (phenylmethyl) 4-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate Openeye Name: benzyl 4-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid benzyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25NO4S/c1-19(28)32-18-23(16-20-8-4-2-5-9-20)25(29)27-24-14-12-22(13-15-24)26(30)31-17-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,27,29)