2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(2-methylphenyl)amino]ethanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(2-methylphenyl)amino]ethanoic acid Openeye Name: 2-(N-(3-acetylsulfanyl-2-methyl-propanoyl)-2-methyl-anilino)acetic acid CAS Name: 2-(N-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-methylanilino)acetic acid IUPAC Name: 2-(N-(3-acetylsulfanyl-2-methylpropanoyl)-2-methylanilino)acetic acid Traditional Name: 2-(N-[3-(acetylthio)-2-methyl-propanoyl]-2-methyl-anilino)acetic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)O)C(=O)C(C)CSC(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)O)C(=O)C(C)CSC(=O)C

InChI

InChI=1S/C15H19NO4S/c1-10-6-4-5-7-13(10)16(8-14(18)19)15(20)11(2)9-21-12(3)17/h4-7,11H,8-9H2,1-3H3,(H,18,19)