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

Systemtic Name: 2-[2,5-dimethyl-3-(2-methylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-(o-tolylsulfanyl)indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-[(2-methylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-3-(2-methylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-3-(o-tolylthio)indol-1-yl]acetic acid Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO2S/c1-12-8-9-16-15(10-12)19(14(3)20(16)11-18(21)22)23-17-7-5-4-6-13(17)2/h4-10H,11H2,1-3H3,(H,21,22)