4-[5-(methylamino)-2-(11-sulfinoundecanoylamino)thiophen-3-yl]oxybutanoic acid

Systemtic Name: 4-[5-(methylamino)-2-(11-sulfinoundecanoylamino)thiophen-3-yl]oxybutanoic acid Openeye Name: 4-[[5-(methylamino)-2-(11-sulfinoundecanoylamino)-3-thienyl]oxy]butanoic acid CAS Name: 4-[[5-(methylamino)-2-[(1-oxo-11-sulfinoundecyl)amino]-3-thiophenyl]oxy]butanoic acid IUPAC Name: 4-[5-(methylamino)-2-(11-sulfinoundecanoylamino)thiophen-3-yl]oxybutanoic acid Traditional Name: 4-[[5-(methylamino)-2-(11-sulfinoundecanoylamino)-3-thienyl]oxy]butyric acid Formula: C20H34N2O6S2 MolecularWeight: 462.62376

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(S1)NC(=O)CCCCCCCCCCS(=O)O)OCCCC(=O)O

Isomeric SMILES

CNC1=CC(=C(S1)NC(=O)CCCCCCCCCCS(=O)O)OCCCC(=O)O

InChI

InChI=1S/C20H34N2O6S2/c1-21-18-15-16(28-13-10-12-19(24)25)20(29-18)22-17(23)11-8-6-4-2-3-5-7-9-14-30(26)27/h15,21H,2-14H2,1H3,(H,22,23)(H,24,25)(H,26,27)