(phenylmethyl) 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid benzyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25NO4S/c28-24(31-18-21-12-6-2-7-13-21)17-27-25(29)23(16-20-10-4-1-5-11-20)19-32-26(30)22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,29)