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

Systemtic Name: 2-(1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(1H-indol-3-yl)-2-[4-(2-thenyl)piperazino]acetic acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C19H21N3O2S/c23-19(24)18(16-12-20-17-6-2-1-5-15(16)17)22-9-7-21(8-10-22)13-14-4-3-11-25-14/h1-6,11-12,18,20H,7-10,13H2,(H,23,24)