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

Systemtic Name: 5-oxidanyl-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylic acid Openeye Name: 5-hydroxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylic acid CAS Name: 5-hydroxy-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-6-carboxylic acid IUPAC Name: 5-hydroxy-3-[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole-6-carboxylic acid Traditional Name: 5-hydroxy-3-[[2-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)ethylthio]methyl]-1H-indole-6-carboxylic acid Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S/c26-22-12-19-17(13-25-21(19)11-20(22)23(27)28)14-29-9-7-18-10-16(6-8-24-18)15-4-2-1-3-5-15/h1-6,11-13,18,24-26H,7-10,14H2,(H,27,28)