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

Systemtic Name: ethyl 2-[2-[(2S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-ium-1-yl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-[(2S)-2-(2-methoxy-2-oxo-ethyl)-3-oxo-piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(2S)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-ium-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-[(2S)-3-keto-2-(2-keto-2-methoxy-ethyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H28N3O6S+ MolecularWeight: 426.50712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-5-28-19(26)12-8-14(11(2)3)29-18(12)21-15(23)10-22-7-6-20-17(25)13(22)9-16(24)27-4/h8,11,13H,5-7,9-10H2,1-4H3,(H,20,25)(H,21,23)/p+1/t13-/m0/s1