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

Systemtic Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-benzyloxy-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(1,2-benzothiazol-3-yl)piperazino]-2-(5-benzoxy-1H-indol-3-yl)acetic acid Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(C4=CNC5=C4C=C(C=C5)OCC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(C4=CNC5=C4C=C(C=C5)OCC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C28H26N4O3S/c33-28(34)26(31-12-14-32(15-13-31)27-21-8-4-5-9-25(21)36-30-27)23-17-29-24-11-10-20(16-22(23)24)35-18-19-6-2-1-3-7-19/h1-11,16-17,26,29H,12-15,18H2,(H,33,34)