diethyl 3-methyl-5-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(3-oxo-1-piperazin-1-iumyl)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(3-oxopiperazin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-ketopiperazin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H24N3O6S+ MolecularWeight: 398.45396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C17H23N3O6S/c1-4-25-16(23)13-10(3)14(17(24)26-5-2)27-15(13)19-12(22)9-20-7-6-18-11(21)8-20/h4-9H2,1-3H3,(H,18,21)(H,19,22)/p+1