2-[3-(4-ethylphenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-ethylphenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-ethylphenyl)sulfanyl-2,5-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-ethylphenyl)thio]-2,5-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-ethylphenyl)sulfanyl-2,5-dimethylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-ethylphenyl)thio]-2,5-dimethyl-indol-1-yl]acetic acid Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=C(N(C3=C2C=C(C=C3)C)CC(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=C(N(C3=C2C=C(C=C3)C)CC(=O)O)C

InChI

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