2-[3-(2,6-dimethylphenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2,6-dimethylphenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(2,6-dimethylphenyl)sulfanyl-2,5-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(2,6-dimethylphenyl)thio]-2,5-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(2,6-dimethylphenyl)sulfanyl-2,5-dimethylindol-1-yl]acetic acid Traditional Name: 2-[3-[(2,6-dimethylphenyl)thio]-2,5-dimethyl-indol-1-yl]acetic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=C(C=CC=C3C)C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=C(C=CC=C3C)C)C)CC(=O)O

InChI

InChI=1S/C20H21NO2S/c1-12-8-9-17-16(10-12)20(15(4)21(17)11-18(22)23)24-19-13(2)6-5-7-14(19)3/h5-10H,11H2,1-4H3,(H,22,23)