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

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-phenyl-amino]ethanoic acid Openeye Name: 2-(N-(3-acetylsulfanyl-2-methyl-propanoyl)anilino)acetic acid CAS Name: 2-(N-[3-(acetylthio)-2-methyl-1-oxopropyl]anilino)acetic acid IUPAC Name: 2-(N-(3-acetylsulfanyl-2-methylpropanoyl)anilino)acetic acid Traditional Name: 2-(N-[3-(acetylthio)-2-methyl-propanoyl]anilino)acetic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S/c1-10(9-20-11(2)16)14(19)15(8-13(17)18)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,17,18)