3-ethoxy-2-[4-(9-sulfononanoylamino)thiophen-2-yl]oxy-butanoic acid

Systemtic Name: 3-ethoxy-2-[4-(9-sulfononanoylamino)thiophen-2-yl]oxy-butanoic acid Openeye Name: 3-ethoxy-2-[[4-(9-sulfononanoylamino)-2-thienyl]oxy]butanoic acid CAS Name: 3-ethoxy-2-[[4-[(1-oxo-9-sulfononyl)amino]-2-thiophenyl]oxy]butanoic acid IUPAC Name: 3-ethoxy-2-[4-(9-sulfononanoylamino)thiophen-2-yl]oxybutanoic acid Traditional Name: 3-ethoxy-2-[[4-(9-sulfononanoylamino)-2-thienyl]oxy]butyric acid Formula: C19H31NO8S2 MolecularWeight: 465.58134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)C(C(=O)O)OC1=CC(=CS1)NC(=O)CCCCCCCCS(=O)(=O)O

Isomeric SMILES

CCOC(C)C(C(=O)O)OC1=CC(=CS1)NC(=O)CCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C19H31NO8S2/c1-3-27-14(2)18(19(22)23)28-17-12-15(13-29-17)20-16(21)10-8-6-4-5-7-9-11-30(24,25)26/h12-14,18H,3-11H2,1-2H3,(H,20,21)(H,22,23)(H,24,25,26)