pyridin-3-ylmethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate hydrochloride

Systemtic Name: pyridin-3-ylmethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate hydrochloride Openeye Name: 3-pyridylmethyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate hydrochloride CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid 3-pyridinylmethyl ester hydrochloride IUPAC Name: pyridin-3-ylmethyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate hydrochloride Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid 3-pyridylmethyl ester hydrochloride Formula: C25H25ClN2O4S MolecularWeight: 484.995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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