2-[3-(4-azanylbutyl)-2-(2-methylsulfanylphenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(2-methylsulfanylphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(2-methylsulfanylphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-[2-(methylthio)phenyl]-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(2-methylsulfanylphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-[2-(methylthio)phenyl]-1H-indol-5-yl]acetic acid Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-26-19-8-3-2-7-16(19)21-15(6-4-5-11-22)17-12-14(13-20(24)25)9-10-18(17)23-21/h2-3,7-10,12,23H,4-6,11,13,22H2,1H3,(H,24,25)