2,2-dimethylpropanoyloxymethyl 3-[[2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]amino]benzoate hydrochloride

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-[[2-(ethanoylsulfanylmethyl)-3-pyridin-3-yl-propanoyl]amino]benzoate hydrochloride Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-[[2-(acetylsulfanylmethyl)-3-(3-pyridyl)propanoyl]amino]benzoate hydrochloride CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-(3-pyridinyl)propyl]amino]benzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester hydrochloride IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-[[2-(acetylsulfanylmethyl)-3-pyridin-3-ylpropanoyl]amino]benzoate hydrochloride Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(3-pyridyl)propanoyl]amino]benzoic acid pivaloyloxymethyl ester hydrochloride Formula: C24H29ClN2O6S MolecularWeight: 509.01486

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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)OCOC(=O)C(C)(C)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O6S.ClH/c1-16(27)33-14-19(11-17-7-6-10-25-13-17)21(28)26-20-9-5-8-18(12-20)22(29)31-15-32-23(30)24(2,3)4;/h5-10,12-13,19H,11,14-15H2,1-4H3,(H,26,28);1H