heptyl 3-azanyl-6-pyridin-3-yl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: heptyl 3-azanyl-6-pyridin-3-yl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: heptyl 3-amino-6-(3-pyridyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxylic acid heptyl ester IUPAC Name: heptyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-6-(3-pyridyl)thieno[2,3-b]pyridine-2-carboxylic acid heptyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CN=CC=C3)N

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C2=C(S1)N=C(C=C2)C3=CN=CC=C3)N

InChI

InChI=1S/C20H23N3O2S/c1-2-3-4-5-6-12-25-20(24)18-17(21)15-9-10-16(23-19(15)26-18)14-8-7-11-22-13-14/h7-11,13H,2-6,12,21H2,1H3