[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H18N2O5S2/c1-10-3-8-21-12(10)13(17)20-9-11(16)14-4-6-15(7-5-14)22(2,18)19/h3,8H,4-7,9H2,1-2H3