2-[(4-butylphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(4-butylphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(4-butyl-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(4-butyl-N-(3-mercapto-2-methyl-1-oxopropyl)anilino)acetic acid IUPAC Name: 2-(4-butyl-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(4-butyl-N-(3-mercapto-2-methyl-propanoyl)anilino)acetic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(C)CS

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(C)CS

InChI

InChI=1S/C16H23NO3S/c1-3-4-5-13-6-8-14(9-7-13)17(10-15(18)19)16(20)12(2)11-21/h6-9,12,21H,3-5,10-11H2,1-2H3,(H,18,19)