2-(1,3-dioxol-4-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1-benzothiophen-3-yl]propanoic acid

Systemtic Name: 2-(1,3-dioxol-4-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1-benzothiophen-3-yl]propanoic acid Openeye Name: 2-(1,3-dioxol-4-yl)-3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]benzothiophen-3-yl]propanoic acid CAS Name: 2-(1,3-dioxol-4-yl)-3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzothiophen-3-yl]propanoic acid IUPAC Name: 2-(1,3-dioxol-4-yl)-3-[6-[2-[6-(methylamino)pyridin-2-yl]ethoxy]-1-benzothiophen-3-yl]propanoic acid Traditional Name: 2-(1,3-dioxol-4-yl)-3-[6-[2-[6-(methylamino)-2-pyridyl]ethoxy]benzothiophen-3-yl]propionic acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CS3)CC(C4=COCO4)C(=O)O

Isomeric SMILES

CNC1=CC=CC(=N1)CCOC2=CC3=C(C=C2)C(=CS3)CC(C4=COCO4)C(=O)O

InChI

InChI=1S/C22H22N2O5S/c1-23-21-4-2-3-15(24-21)7-8-28-16-5-6-17-14(12-30-20(17)10-16)9-18(22(25)26)19-11-27-13-29-19/h2-6,10-12,18H,7-9,13H2,1H3,(H,23,24)(H,25,26)