2-[4-(2-indol-1-ylethoxy)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-(2-indol-1-ylethoxy)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-(2-indol-1-ylethoxy)phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[2-(1-indolyl)ethoxy]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-(2-indol-1-ylethoxy)phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-(2-indol-1-ylethoxy)phenyl]thio]-2-methyl-propionic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)OCCN2C=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)OCCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C20H21NO3S/c1-20(2,19(22)23)25-17-9-7-16(8-10-17)24-14-13-21-12-11-15-5-3-4-6-18(15)21/h3-12H,13-14H2,1-2H3,(H,22,23)