2-[[2-(3,3-dimethylbutanoylsulfanyl)-2-methyl-propanoyl]-(4-methylphenyl)amino]ethanoic acid

Systemtic Name: 2-[[2-(3,3-dimethylbutanoylsulfanyl)-2-methyl-propanoyl]-(4-methylphenyl)amino]ethanoic acid Openeye Name: 2-(N-[2-(3,3-dimethylbutanoylsulfanyl)-2-methyl-propanoyl]-4-methyl-anilino)acetic acid CAS Name: 2-(N-[2-[(3,3-dimethyl-1-oxobutyl)thio]-2-methyl-1-oxopropyl]-4-methylanilino)acetic acid IUPAC Name: 2-(N-[2-(3,3-dimethylbutanoylsulfanyl)-2-methylpropanoyl]-4-methylanilino)acetic acid Traditional Name: 2-(N-[2-(3,3-dimethylbutanoylthio)-2-methyl-propanoyl]-4-methyl-anilino)acetic acid Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-13-7-9-14(10-8-13)20(12-15(21)22)17(24)19(5,6)25-16(23)11-18(2,3)4/h7-10H,11-12H2,1-6H3,(H,21,22)