methyl 5-ethyl-2-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-[(2R)-3-oxo-2-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(2R)-3-ketopiperazin-1-ium-2-yl]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C14H20N3O4S+ MolecularWeight: 326.3913

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CC2C(=O)NCC[NH2+]2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[C@@H]2C(=O)NCC[NH2+]2)C(=O)OC

InChI

InChI=1S/C14H19N3O4S/c1-3-8-6-9(14(20)21-2)13(22-8)17-11(18)7-10-12(19)16-5-4-15-10/h6,10,15H,3-5,7H2,1-2H3,(H,16,19)(H,17,18)/p+1/t10-/m1/s1