6-(1-adamantyl)-3-azanyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: 6-(1-adamantyl)-3-azanyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: 6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-(1-adamantyl)-3-amino-2-thieno[2,3-b]pyridinecarboxylate IUPAC Name: 6-(1-adamantyl)-3-aminothieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridine-2-carboxylate Formula: C18H19N2O2S- MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=C(S5)C(=O)[O-])N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=C(S5)C(=O)[O-])N

InChI

InChI=1S/C18H20N2O2S/c19-14-12-1-2-13(20-16(12)23-15(14)17(21)22)18-6-9-3-10(7-18)5-11(4-9)8-18/h1-2,9-11H,3-8,19H2,(H,21,22)/p-1