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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3-bromanylthiophen-2-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3-bromo-2-thienyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3-bromo-2-thiophenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3-bromothiophen-2-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3-bromo-2-thienyl)-1H-indol-5-yl]acetic acid Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC(=O)O)C(=C(N2)C3=C(C=CS3)Br)CCCCN

Isomeric SMILES

C1=CC2=C(C=C1CC(=O)O)C(=C(N2)C3=C(C=CS3)Br)CCCCN

InChI

InChI=1S/C18H19BrN2O2S/c19-14-6-8-24-18(14)17-12(3-1-2-7-20)13-9-11(10-16(22)23)4-5-15(13)21-17/h4-6,8-9,21H,1-3,7,10,20H2,(H,22,23)