methyl 6-[(3-aminocarbonylpiperidin-1-yl)methyl]-3-(2-cyclohexylethanoylamino)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 6-[(3-aminocarbonylpiperidin-1-yl)methyl]-3-(2-cyclohexylethanoylamino)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(3-carbamoyl-1-piperidyl)methyl]-3-[(2-cyclohexylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-[(3-carbamoyl-1-piperidinyl)methyl]-3-[(2-cyclohexyl-1-oxoethyl)amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(3-carbamoylpiperidin-1-yl)methyl]-3-[(2-cyclohexylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(3-carbamoylpiperidino)methyl]-3-[(2-cyclohexylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)N=C(C=C2)CN3CCCC(C3)C(=O)N)NC(=O)CC4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)N=C(C=C2)CN3CCCC(C3)C(=O)N)NC(=O)CC4CCCCC4

InChI

InChI=1S/C24H32N4O4S/c1-32-24(31)21-20(27-19(29)12-15-6-3-2-4-7-15)18-10-9-17(26-23(18)33-21)14-28-11-5-8-16(13-28)22(25)30/h9-10,15-16H,2-8,11-14H2,1H3,(H2,25,30)(H,27,29)