ethyl 2-[2-[(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(2S)-2-(2-methoxy-2-oxo-ethyl)-3-oxo-piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(2S)-3-keto-2-(2-keto-2-methoxy-ethyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H26N3O6S+ MolecularWeight: 412.48054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[NH+]2CCNC(=O)[C@@H]2CC(=O)OC

InChI

InChI=1S/C18H25N3O6S/c1-5-27-18(25)15-10(2)11(3)28-17(15)20-13(22)9-21-7-6-19-16(24)12(21)8-14(23)26-4/h12H,5-9H2,1-4H3,(H,19,24)(H,20,22)/p+1/t12-/m0/s1