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

Systemtic Name: 3-(3aH-[1,2,5]thiadiazolo[2,3-a]pyridin-5-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 3-(3aH-[1,2,5]thiadiazolo[2,3-a]pyridin-5-yl)-3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]-1H-indol-3-yl]propanoic acid CAS Name: 3-(3aH-[1,2,5]thiadiazolo[2,3-a]pyridin-5-yl)-3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-(3aH-[1,2,5]thiadiazolo[2,3-a]pyridin-5-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 3-(3aH-[1,2,5]thiadiazolo[2,3-a]pyridin-5-yl)-3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]-1H-indol-3-yl]propionic acid Formula: C25H25N5O3S MolecularWeight: 475.5627

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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=CC5C=NSN5C=C4

Isomeric SMILES

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC5C=NSN5C=C4

InChI

InChI=1S/C25H25N5O3S/c1-26-24-4-2-3-17(29-24)8-10-33-19-5-6-20-22(15-27-23(20)12-19)21(13-25(31)32)16-7-9-30-18(11-16)14-28-34-30/h2-7,9,11-12,14-15,18,21,27H,8,10,13H2,1H3,(H,26,29)(H,31,32)