diethyl 3-methyl-5-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbonyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-[4-(2-oxolanylmethyl)-1-piperazinyl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(tetrahydrofurfuryl)piperazine-1-carbonyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)N2CCN(CC2)CC3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)N2CCN(CC2)CC3CCCO3

InChI

InChI=1S/C21H31N3O6S/c1-4-28-19(25)16-14(3)17(20(26)29-5-2)31-18(16)22-21(27)24-10-8-23(9-11-24)13-15-7-6-12-30-15/h15H,4-13H2,1-3H3,(H,22,27)