methyl 3-(2-methylpropanoylamino)-6-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(2-methylpropanoylamino)-6-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(2-methylpropanoylamino)-6-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(2-methyl-1-oxopropyl)amino]-6-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropanoylamino)-6-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(isobutyrylamino)-6-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C23H27N4O4S2+ MolecularWeight: 487.61488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C23H26N4O4S2/c1-14(2)20(28)25-18-16-7-6-15(24-21(16)33-19(18)23(30)31-3)13-26-8-10-27(11-9-26)22(29)17-5-4-12-32-17/h4-7,12,14H,8-11,13H2,1-3H3,(H,25,28)/p+1