3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylic acid

Systemtic Name: 3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylic acid Openeye Name: 3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylic acid CAS Name: 3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-6-carboxylic acid IUPAC Name: 3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylic acid Traditional Name: 3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-6-carboxylic acid Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(N1)CCSCC2=CNC3=C2C=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1C=C(CC(N1)CCSCC2=CNC3=C2C=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O2S/c26-23(27)18-6-7-21-19(14-25-22(21)13-18)15-28-11-9-20-12-17(8-10-24-20)16-4-2-1-3-5-16/h1-8,13-14,20,24-25H,9-12,15H2,(H,26,27)