4-[2-(10-propan-2-ylsulfanyldecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(10-propan-2-ylsulfanyldecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(10-isopropylsulfanyldecanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[[1-oxo-10-(propan-2-ylthio)decyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(10-propan-2-ylsulfanyldecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-[10-(isopropylthio)decanoylamino]phenoxy]butyric acid Formula: C23H37NO4S MolecularWeight: 423.60918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

Isomeric SMILES

CC(C)SCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

InChI

InChI=1S/C23H37NO4S/c1-19(2)29-18-11-7-5-3-4-6-8-15-22(25)24-20-13-9-10-14-21(20)28-17-12-16-23(26)27/h9-10,13-14,19H,3-8,11-12,15-18H2,1-2H3,(H,24,25)(H,26,27)