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

Systemtic Name: methyl 3-(2-cyclohexylethanoylamino)-6-[(4-ethanoylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 6-[(4-acetylpiperazin-1-yl)methyl]-3-[(2-cyclohexylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 6-[(4-acetyl-1-piperazinyl)methyl]-3-[(2-cyclohexyl-1-oxoethyl)amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(4-acetylpiperazin-1-yl)methyl]-3-[(2-cyclohexylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-acetylpiperazino)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:

CC(=O)N1CCN(CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)CC4CCCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)CC4CCCCC4

InChI

InChI=1S/C24H32N4O4S/c1-16(29)28-12-10-27(11-13-28)15-18-8-9-19-21(22(24(31)32-2)33-23(19)25-18)26-20(30)14-17-6-4-3-5-7-17/h8-9,17H,3-7,10-15H2,1-2H3,(H,26,30)