4-[4-methyl-5-phenyl-2-(11-sulfoundecanoylamino)thiophen-3-yl]oxybutanoic acid

Systemtic Name: 4-[4-methyl-5-phenyl-2-(11-sulfoundecanoylamino)thiophen-3-yl]oxybutanoic acid Openeye Name: 4-[[4-methyl-5-phenyl-2-(11-sulfoundecanoylamino)-3-thienyl]oxy]butanoic acid CAS Name: 4-[[4-methyl-2-[(1-oxo-11-sulfoundecyl)amino]-5-phenyl-3-thiophenyl]oxy]butanoic acid IUPAC Name: 4-[4-methyl-5-phenyl-2-(11-sulfoundecanoylamino)thiophen-3-yl]oxybutanoic acid Traditional Name: 4-[[4-methyl-5-phenyl-2-(11-sulfoundecanoylamino)-3-thienyl]oxy]butyric acid Formula: C26H37NO7S2 MolecularWeight: 539.70448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCS(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCS(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C26H37NO7S2/c1-20-24(34-18-13-17-23(29)30)26(35-25(20)21-14-9-8-10-15-21)27-22(28)16-11-6-4-2-3-5-7-12-19-36(31,32)33/h8-10,14-15H,2-7,11-13,16-19H2,1H3,(H,27,28)(H,29,30)(H,31,32,33)