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

Systemtic Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-(2-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(1,2-benzothiazol-3-yl)piperazino]-2-(2-methyl-1H-indol-3-yl)acetic acid Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C22H22N4O2S/c1-14-19(15-6-2-4-8-17(15)23-14)20(22(27)28)25-10-12-26(13-11-25)21-16-7-3-5-9-18(16)29-24-21/h2-9,20,23H,10-13H2,1H3,(H,27,28)