[(2-ethanoylsulfanyl-2-methyl-3-phenyl-propanoyl)amino] benzoate hydrochloride

Systemtic Name: [(2-ethanoylsulfanyl-2-methyl-3-phenyl-propanoyl)amino] benzoate hydrochloride Openeye Name: [(2-acetylsulfanyl-2-methyl-3-phenyl-propanoyl)amino] benzoate hydrochloride CAS Name: benzoic acid [[2-(acetylthio)-2-methyl-1-oxo-3-phenylpropyl]amino] ester hydrochloride IUPAC Name: [(2-acetylsulfanyl-2-methyl-3-phenylpropanoyl)amino] benzoate hydrochloride Traditional Name: benzoic acid [[2-(acetylthio)-2-methyl-3-phenyl-propanoyl]amino] ester hydrochloride Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CC(=O)SC(C)(CC1=CC=CC=C1)C(=O)NOC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C19H19NO4S.ClH/c1-14(21)25-19(2,13-15-9-5-3-6-10-15)18(23)20-24-17(22)16-11-7-4-8-12-16;/h3-12H,13H2,1-2H3,(H,20,23);1H