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

Systemtic Name: 7-chloranyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-4-carboxylic acid Openeye Name: 7-chloro-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-4-carboxylic acid CAS Name: 7-chloro-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-4-carboxylic acid IUPAC Name: 7-chloro-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-4-carboxylic acid Traditional Name: 7-chloro-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-4-carboxylic acid Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(N1)CCSCC2=CNC3=C(C=CC(=C23)C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C1C=C(CC(N1)CCSCC2=CNC3=C(C=CC(=C23)C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H23ClN2O2S/c24-20-7-6-19(23(27)28)21-17(13-26-22(20)21)14-29-11-9-18-12-16(8-10-25-18)15-4-2-1-3-5-15/h1-8,13,18,25-26H,9-12,14H2,(H,27,28)