diethyl 3-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-mesylpiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H27N3O7S2 MolecularWeight: 461.55288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O7S2/c1-5-27-17(23)14-12(3)15(18(24)28-6-2)29-16(14)19-13(22)11-20-7-9-21(10-8-20)30(4,25)26/h5-11H2,1-4H3,(H,19,22)