3-(4-azanylbutyl)-2-(2-methylsulfanylphenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(2-methylsulfanylphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(2-methylsulfanylphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-[2-(methylthio)phenyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(2-methylsulfanylphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-[2-(methylthio)phenyl]-1H-indole-5-carboxylic acid Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

Isomeric SMILES

CSC1=CC=CC=C1C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN

InChI

InChI=1S/C20H22N2O2S/c1-25-18-8-3-2-7-15(18)19-14(6-4-5-11-21)16-12-13(20(23)24)9-10-17(16)22-19/h2-3,7-10,12,22H,4-6,11,21H2,1H3,(H,23,24)