2-[4-[2-(1H-indol-3-yl)ethylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(1H-indol-3-yl)ethylsulfanyl]-5-methoxy-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(1H-indol-3-yl)ethylsulfanyl]-5-methoxy-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-(1H-indol-3-yl)ethylthio]-5-methoxy-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-(1H-indol-3-yl)ethylsulfanyl]-5-methoxy-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-(1H-indol-3-yl)ethylthio]-5-methoxy-2-methyl-phenoxy]acetic acid Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)O)OC)SCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)O)OC)SCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H21NO4S/c1-13-9-19(18(24-2)10-17(13)25-12-20(22)23)26-8-7-14-11-21-16-6-4-3-5-15(14)16/h3-6,9-11,21H,7-8,12H2,1-2H3,(H,22,23)