2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-bromanyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-bromanyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-bromo-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-(5-bromo-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-bromo-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(1,2-benzothiazol-3-yl)piperazino]-2-(5-bromo-1H-indol-3-yl)acetic acid Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)O

InChI

InChI=1S/C21H19BrN4O2S/c22-13-5-6-17-15(11-13)16(12-23-17)19(21(27)28)25-7-9-26(10-8-25)20-14-3-1-2-4-18(14)29-24-20/h1-6,11-12,19,23H,7-10H2,(H,27,28)