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

Systemtic Name: 2-[(4-butylphenyl)-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(N-(3-acetylsulfanyl-2-methyl-propanoyl)-4-butyl-anilino)acetic acid CAS Name: 2-(N-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-butylanilino)acetic acid IUPAC Name: 2-(N-(3-acetylsulfanyl-2-methylpropanoyl)-4-butylanilino)acetic acid Traditional Name: 2-(N-[3-(acetylthio)-2-methyl-propanoyl]-4-butyl-anilino)acetic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-4-5-6-15-7-9-16(10-8-15)19(11-17(21)22)18(23)13(2)12-24-14(3)20/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,22)