2-[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]thiazole-4-carboxylic acid CAS Name: 2-[3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofuranyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]thiazole-4-carboxylic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C4=NC(=CS4)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C4=NC(=CS4)C(=O)O

InChI

InChI=1S/C22H21N3O4S/c1-14-19-17(28-10-4-9-24-12-15-5-3-8-23-11-15)6-2-7-18(19)29-20(14)21-25-16(13-30-21)22(26)27/h2-3,5-8,11,13,24H,4,9-10,12H2,1H3,(H,26,27)