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

Systemtic Name: O4-ethyl O2-(2-methoxyethyl) 5-[2-(4-ethoxycarbonylpiperazin-1-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-(2-methoxyethyl) 5-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester IUPAC Name: 4-O-ethyl 2-O-(2-methoxyethyl) 5-[[2-(4-ethoxycarbonylpiperazin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-carbethoxypiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-(2-methoxyethyl) ester Formula: C21H31N3O8S MolecularWeight: 485.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)CN2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)CN2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C21H31N3O8S/c1-5-30-19(26)16-14(3)17(20(27)32-12-11-29-4)33-18(16)22-15(25)13-23-7-9-24(10-8-23)21(28)31-6-2/h5-13H2,1-4H3,(H,22,25)