4-[4-methylsulfanyl-2-(11-methylsulfanylundecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[4-methylsulfanyl-2-(11-methylsulfanylundecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[4-methylsulfanyl-2-(11-methylsulfanylundecanoylamino)phenoxy]butanoic acid CAS Name: 4-[4-(methylthio)-2-[[11-(methylthio)-1-oxoundecyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[4-methylsulfanyl-2-(11-methylsulfanylundecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[4-(methylthio)-2-[11-(methylthio)undecanoylamino]phenoxy]butyric acid Formula: C23H37NO4S2 MolecularWeight: 455.67418

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)SC)OCCCC(=O)O

Isomeric SMILES

CSCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)SC)OCCCC(=O)O

InChI

InChI=1S/C23H37NO4S2/c1-29-17-10-8-6-4-3-5-7-9-12-22(25)24-20-18-19(30-2)14-15-21(20)28-16-11-13-23(26)27/h14-15,18H,3-13,16-17H2,1-2H3,(H,24,25)(H,26,27)