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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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