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

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 3-methyl-5-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-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-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C22H30N5O6S+ MolecularWeight: 492.5685

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H29N5O6S/c1-4-32-20(29)17-15(2)18(21(30)33-13-12-31-3)34-19(17)25-16(28)14-26-8-10-27(11-9-26)22-23-6-5-7-24-22/h5-7H,4,8-14H2,1-3H3,(H,25,28)/p+1