2-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxymethylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxymethylsulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]ethoxymethylsulfanyl]-2-methyl-propanoic acid CAS Name: 2-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-4-oxazolyl]ethoxymethylthio]-2-methylpropanoic acid IUPAC Name: 2-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]ethoxymethylsulfanyl]-2-methylpropanoic acid Traditional Name: 2-[2-[2-(1,3-benzodioxol-5-yl)-5-methyl-oxazol-4-yl]ethoxymethylthio]-2-methyl-propionic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2)OCO3)CCOCSC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2)OCO3)CCOCSC(C)(C)C(=O)O

InChI

InChI=1S/C18H21NO6S/c1-11-13(6-7-22-10-26-18(2,3)17(20)21)19-16(25-11)12-4-5-14-15(8-12)24-9-23-14/h4-5,8H,6-7,9-10H2,1-3H3,(H,20,21)