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

Systemtic Name: (phenylmethyl) 6-(1-adamantyl)-3-azanyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: benzyl 6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-(1-adamantyl)-3-amino-2-thieno[2,3-b]pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(1-adamantyl)-3-aminothieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridine-2-carboxylic acid benzyl ester Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=C(S5)C(=O)OCC6=CC=CC=C6)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=C(S5)C(=O)OCC6=CC=CC=C6)N

InChI

InChI=1S/C25H26N2O2S/c26-21-19-6-7-20(25-11-16-8-17(12-25)10-18(9-16)13-25)27-23(19)30-22(21)24(28)29-14-15-4-2-1-3-5-15/h1-7,16-18H,8-14,26H2