2-ethoxy-3-[4-[2-(2-methylsulfanylpyrrol-1-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-(2-methylsulfanylpyrrol-1-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-(2-methylsulfanylpyrrol-1-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[2-(methylthio)-1-pyrrolyl]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-(2-methylsulfanylpyrrol-1-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[2-(methylthio)pyrrol-1-yl]ethoxy]phenyl]propionic acid Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C=CC=C2SC)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C=CC=C2SC)C(=O)O

InChI

InChI=1S/C18H23NO4S/c1-3-22-16(18(20)21)13-14-6-8-15(9-7-14)23-12-11-19-10-4-5-17(19)24-2/h4-10,16H,3,11-13H2,1-2H3,(H,20,21)