methyl 3-(2-cyclopentylethanoylamino)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(2-cyclopentylethanoylamino)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[(2-cyclopentylacetyl)amino]-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(2-cyclopentyl-1-oxoethyl)amino]-6-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-cyclopentylacetyl)amino]-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-3-[(2-cyclopentylacetyl)amino]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C24H33N4O5S+ MolecularWeight: 489.60762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)CC4CCCC4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)CC4CCCC4

InChI

InChI=1S/C24H32N4O5S/c1-3-33-24(31)28-12-10-27(11-13-28)15-17-8-9-18-20(21(23(30)32-2)34-22(18)25-17)26-19(29)14-16-6-4-5-7-16/h8-9,16H,3-7,10-15H2,1-2H3,(H,26,29)/p+1