methyl 3-(cyclohexylcarbonylamino)-6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(cyclohexylcarbonylamino)-6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(cyclohexanecarbonylamino)-6-[(4-ethoxycarbonyl-1-piperidyl)methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[cyclohexyl(oxo)methyl]amino]-6-[(4-ethoxycarbonyl-1-piperidinyl)methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyclohexanecarbonylamino)-6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-carbethoxypiperidino)methyl]-3-(cyclohexanecarbonylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H33N3O5S/c1-3-33-24(30)17-11-13-28(14-12-17)15-18-9-10-19-20(21(25(31)32-2)34-23(19)26-18)27-22(29)16-7-5-4-6-8-16/h9-10,16-17H,3-8,11-15H2,1-2H3,(H,27,29)