2-(5-tert-butyl-3-phenylsulfanyl-1H-indol-2-yl)ethanoic acid

Systemtic Name: 2-(5-tert-butyl-3-phenylsulfanyl-1H-indol-2-yl)ethanoic acid Openeye Name: 2-(5-tert-butyl-3-phenylsulfanyl-1H-indol-2-yl)acetic acid CAS Name: 2-[5-tert-butyl-3-(phenylthio)-1H-indol-2-yl]acetic acid IUPAC Name: 2-(5-tert-butyl-3-phenylsulfanyl-1H-indol-2-yl)acetic acid Traditional Name: 2-[5-tert-butyl-3-(phenylthio)-1H-indol-2-yl]acetic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C20H21NO2S/c1-20(2,3)13-9-10-16-15(11-13)19(17(21-16)12-18(22)23)24-14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3,(H,22,23)