3-(2,1,3-benzothiadiazol-5-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]-1H-indol-3-yl]propanoic acid CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]-1H-indol-3-yl]-3-piazthiol-5-yl-propionic acid Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC5=NSN=C5C=C4

Isomeric SMILES

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC5=NSN=C5C=C4

InChI

InChI=1S/C25H23N5O3S/c1-26-24-4-2-3-16(28-24)9-10-33-17-6-7-18-20(14-27-22(18)12-17)19(13-25(31)32)15-5-8-21-23(11-15)30-34-29-21/h2-8,11-12,14,19,27H,9-10,13H2,1H3,(H,26,28)(H,31,32)