2-(6-bromanyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(2-thenyl)piperazino]acetic acid Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(C3=CNC4=C3C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C19H20BrN3O2S/c20-13-3-4-15-16(11-21-17(15)10-13)18(19(24)25)23-7-5-22(6-8-23)12-14-2-1-9-26-14/h1-4,9-11,18,21H,5-8,12H2,(H,24,25)