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

Systemtic Name: 2-[(4-hexoxyphenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(4-hexoxy-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(4-hexoxy-N-(3-mercapto-2-methyl-1-oxopropyl)anilino)acetic acid IUPAC Name: 2-(4-hexoxy-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(4-hexoxy-N-(3-mercapto-2-methyl-propanoyl)anilino)acetic acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(C)CS

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N(CC(=O)O)C(=O)C(C)CS

InChI

InChI=1S/C18H27NO4S/c1-3-4-5-6-11-23-16-9-7-15(8-10-16)19(12-17(20)21)18(22)14(2)13-24/h7-10,14,24H,3-6,11-13H2,1-2H3,(H,20,21)