(phenylmethyl) 3-[[2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]amino]benzoate

Systemtic Name: (phenylmethyl) 3-[[2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]amino]benzoate Openeye Name: benzyl 3-[[2-(acetylsulfanylmethyl)-3-(3-pyridyl)propanoyl]amino]benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-(3-pyridinyl)propyl]amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[2-(acetylsulfanylmethyl)-3-pyridin-3-ylpropanoyl]amino]benzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(3-pyridyl)propanoyl]amino]benzoic acid benzyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O4S/c1-18(28)32-17-22(13-20-9-6-12-26-15-20)24(29)27-23-11-5-10-21(14-23)25(30)31-16-19-7-3-2-4-8-19/h2-12,14-15,22H,13,16-17H2,1H3,(H,27,29)