6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-(dimethylamino)pyridine-2-carboxylic acid

Systemtic Name: 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-(dimethylamino)pyridine-2-carboxylic acid Openeye Name: 6-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-(dimethylamino)pyridine-2-carboxylic acid CAS Name: 6-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-4-(dimethylamino)-2-pyridinecarboxylic acid IUPAC Name: 6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-4-(dimethylamino)pyridine-2-carboxylic acid Traditional Name: 6-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-4-(dimethylamino)picolinic acid Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC(=C3)N(C)C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=NC(=CC(=C3)N(C)C)C(=O)O)OCC

InChI

InChI=1S/C21H23N3O4S/c1-5-27-18-8-7-13(9-19(18)28-6-2)20-23-17(12-29-20)15-10-14(24(3)4)11-16(22-15)21(25)26/h7-12H,5-6H2,1-4H3,(H,25,26)