4-[5-methyl-2-(9-methylsulfanylnonanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[5-methyl-2-(9-methylsulfanylnonanoylamino)phenoxy]butanoic acid Openeye Name: 4-[5-methyl-2-(9-methylsulfanylnonanoylamino)phenoxy]butanoic acid CAS Name: 4-[5-methyl-2-[[9-(methylthio)-1-oxononyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[5-methyl-2-(9-methylsulfanylnonanoylamino)phenoxy]butanoic acid Traditional Name: 4-[5-methyl-2-[9-(methylthio)nonanoylamino]phenoxy]butyric acid Formula: C21H33NO4S MolecularWeight: 395.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCCCCCCCSC)OCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCCCCCCCSC)OCCCC(=O)O

InChI

InChI=1S/C21H33NO4S/c1-17-12-13-18(19(16-17)26-14-9-11-21(24)25)22-20(23)10-7-5-3-4-6-8-15-27-2/h12-13,16H,3-11,14-15H2,1-2H3,(H,22,23)(H,24,25)