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

Systemtic Name: dimethyl 3-methyl-5-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C16H23N3O7S2 MolecularWeight: 433.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C16H23N3O7S2/c1-10-12(15(21)25-2)14(27-13(10)16(22)26-3)17-11(20)9-18-5-7-19(8-6-18)28(4,23)24/h5-9H2,1-4H3,(H,17,20)