2-methyl-2-[6-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]hexylsulfanyl]propanoic acid

Systemtic Name: 2-methyl-2-[6-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]hexylsulfanyl]propanoic acid Openeye Name: 2-methyl-2-[6-[5-methyl-2-(p-tolyl)oxazol-4-yl]hexylsulfanyl]propanoic acid CAS Name: 2-methyl-2-[6-[5-methyl-2-(4-methylphenyl)-4-oxazolyl]hexylthio]propanoic acid IUPAC Name: 2-methyl-2-[6-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]hexylsulfanyl]propanoic acid Traditional Name: 2-methyl-2-[6-[5-methyl-2-(p-tolyl)oxazol-4-yl]hexylthio]propionic acid Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCCCCCSC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CCCCCCSC(C)(C)C(=O)O

InChI

InChI=1S/C21H29NO3S/c1-15-10-12-17(13-11-15)19-22-18(16(2)25-19)9-7-5-6-8-14-26-21(3,4)20(23)24/h10-13H,5-9,14H2,1-4H3,(H,23,24)