methyl 3-(2-methylpropanoylamino)-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(2-methylpropanoylamino)-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(2-methylpropanoylamino)-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[(2-methyl-1-oxopropyl)amino]-6-(4-thiomorpholin-4-iumylmethyl)-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropanoylamino)-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(isobutyrylamino)-6-(thiomorpholin-4-ium-4-ylmethyl)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+]3CCSCC3)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+]3CCSCC3)C(=O)OC

InChI

InChI=1S/C18H23N3O3S2/c1-11(2)16(22)20-14-13-5-4-12(10-21-6-8-25-9-7-21)19-17(13)26-15(14)18(23)24-3/h4-5,11H,6-10H2,1-3H3,(H,20,22)/p+1