5-(3,4-dimethoxyphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate Openeye Name: 5-(3,4-dimethoxyphenyl)-2-(1-piperidyl)thiazolo[4,5-b]pyridine-7-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-2-(1-piperidinyl)-7-thiazolo[4,5-b]pyridinecarboxylate IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)-2-piperidino-thiazolo[4,5-b]pyridine-7-carboxylate Formula: C20H20N3O4S- MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(=O)[O-])SC(=N3)N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(=O)[O-])SC(=N3)N4CCCCC4)OC

InChI

InChI=1S/C20H21N3O4S/c1-26-15-7-6-12(10-16(15)27-2)14-11-13(19(24)25)17-18(21-14)22-20(28-17)23-8-4-3-5-9-23/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,24,25)/p-1