2,2-dimethyl-3-[4-[2-(1-methylpyrrol-2-yl)butanoyloxy]phenyl]sulfinyl-propanoic acid

Systemtic Name: 2,2-dimethyl-3-[4-[2-(1-methylpyrrol-2-yl)butanoyloxy]phenyl]sulfinyl-propanoic acid Openeye Name: 2,2-dimethyl-3-[4-[2-(1-methylpyrrol-2-yl)butanoyloxy]phenyl]sulfinyl-propanoic acid CAS Name: 2,2-dimethyl-3-[4-[2-(1-methyl-2-pyrrolyl)-1-oxobutoxy]phenyl]sulfinylpropanoic acid IUPAC Name: 2,2-dimethyl-3-[4-[2-(1-methylpyrrol-2-yl)butanoyloxy]phenyl]sulfinylpropanoic acid Traditional Name: 2,2-dimethyl-3-[4-[2-(1-methylpyrrol-2-yl)butanoyloxy]phenyl]sulfinyl-propionic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CN1C)C(=O)OC2=CC=C(C=C2)S(=O)CC(C)(C)C(=O)O

Isomeric SMILES

CCC(C1=CC=CN1C)C(=O)OC2=CC=C(C=C2)S(=O)CC(C)(C)C(=O)O

InChI

InChI=1S/C20H25NO5S/c1-5-16(17-7-6-12-21(17)4)18(22)26-14-8-10-15(11-9-14)27(25)13-20(2,3)19(23)24/h6-12,16H,5,13H2,1-4H3,(H,23,24)