methyl 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: methyl 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: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H24N3O6S+ MolecularWeight: 398.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCNC(=O)C2CC(=O)OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCNC(=O)[C@@H]2CC(=O)OC)C

InChI

InChI=1S/C17H23N3O6S/c1-9-10(2)27-16(14(9)17(24)26-4)19-12(21)8-20-6-5-18-15(23)11(20)7-13(22)25-3/h11H,5-8H2,1-4H3,(H,18,23)(H,19,21)/p+1/t11-/m0/s1