2-(2,5-dimethyl-3-quinolin-8-ylsulfanyl-indol-1-yl)ethanoic acid

Systemtic Name: 2-(2,5-dimethyl-3-quinolin-8-ylsulfanyl-indol-1-yl)ethanoic acid Openeye Name: 2-[2,5-dimethyl-3-(8-quinolylsulfanyl)indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-3-(8-quinolinylthio)-1-indolyl]acetic acid IUPAC Name: 2-(2,5-dimethyl-3-quinolin-8-ylsulfanylindol-1-yl)acetic acid Traditional Name: 2-[2,5-dimethyl-3-(8-quinolylthio)indol-1-yl]acetic acid Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=CC=CC4=C3N=CC=C4)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=CC=CC4=C3N=CC=C4)C)CC(=O)O

InChI

InChI=1S/C21H18N2O2S/c1-13-8-9-17-16(11-13)21(14(2)23(17)12-19(24)25)26-18-7-3-5-15-6-4-10-22-20(15)18/h3-11H,12H2,1-2H3,(H,24,25)