2-[(3,5-dimethylphenyl)-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(N-(3-acetylsulfanyl-2-methyl-propanoyl)-3,5-dimethyl-anilino)acetic acid CAS Name: 2-(N-[3-(acetylthio)-2-methyl-1-oxopropyl]-3,5-dimethylanilino)acetic acid IUPAC Name: 2-(N-(3-acetylsulfanyl-2-methylpropanoyl)-3,5-dimethylanilino)acetic acid Traditional Name: 2-(N-[3-(acetylthio)-2-methyl-propanoyl]-3,5-dimethyl-anilino)acetic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)O)C(=O)C(C)CSC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)O)C(=O)C(C)CSC(=O)C)C

InChI

InChI=1S/C16H21NO4S/c1-10-5-11(2)7-14(6-10)17(8-15(19)20)16(21)12(3)9-22-13(4)18/h5-7,12H,8-9H2,1-4H3,(H,19,20)