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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(N1)CCSCC2=CNC3=CC=CC(=C32)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1C=C(CC(N1)CCSCC2=CNC3=CC=CC(=C32)C(=O)O)C4=CC=CC=C4

InChI

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