methyl 3-benzamido-6-[[cyclohexyl(methyl)amino]methyl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-benzamido-6-[[cyclohexyl(methyl)amino]methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-benzamido-6-[[cyclohexyl(methyl)amino]methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-benzamido-6-[[cyclohexyl(methyl)amino]methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-benzamido-6-[[cyclohexyl(methyl)amino]methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-benzamido-6-[[cyclohexyl(methyl)amino]methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CN(CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C24H27N3O3S/c1-27(18-11-7-4-8-12-18)15-17-13-14-19-20(21(24(29)30-2)31-23(19)25-17)26-22(28)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,18H,4,7-8,11-12,15H2,1-2H3,(H,26,28)