O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 3-methyl-5-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C22H29N2O6S2+ MolecularWeight: 481.60546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CS3

InChI

InChI=1S/C22H28N2O6S2/c1-4-29-21(26)18-14(2)19(22(27)30-11-10-28-3)32-20(18)23-17(25)13-24-9-5-7-15(24)16-8-6-12-31-16/h6,8,12,15H,4-5,7,9-11,13H2,1-3H3,(H,23,25)/p+1/t15-/m0/s1