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

Systemtic Name: (phenylmethyl) 2-azanyl-3-[2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]benzoate Openeye Name: benzyl 3-[2-(acetylsulfanylmethyl)-3-(3-pyridyl)propanoyl]-2-amino-benzoate CAS Name: 3-[2-[(acetylthio)methyl]-1-oxo-3-(3-pyridinyl)propyl]-2-aminobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(acetylsulfanylmethyl)-3-pyridin-3-ylpropanoyl]-2-aminobenzoate Traditional Name: 3-[2-[(acetylthio)methyl]-3-(3-pyridyl)propanoyl]-2-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)C2=C(C(=CC=C2)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

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

InChI

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