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

Systemtic Name: (phenylmethyl) 4-[[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]methyl]benzoate Openeye Name: benzyl 4-[[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]methyl]benzoic acid benzyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27NO4S/c1-20(29)33-19-25(16-21-8-4-2-5-9-21)26(30)28-17-22-12-14-24(15-13-22)27(31)32-18-23-10-6-3-7-11-23/h2-15,25H,16-19H2,1H3,(H,28,30)