methyl 3-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[(2R)-3-oxo-2-piperazin-1-iumyl]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(2R)-3-ketopiperazin-1-ium-2-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C12H16N3O4S+ MolecularWeight: 298.33814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CC2C(=O)NCC[NH2+]2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[C@@H]2C(=O)NCC[NH2+]2

InChI

InChI=1S/C12H15N3O4S/c1-19-12(18)10-7(2-5-20-10)15-9(16)6-8-11(17)14-4-3-13-8/h2,5,8,13H,3-4,6H2,1H3,(H,14,17)(H,15,16)/p+1/t8-/m1/s1