methyl 4-ethyl-5-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-(4-mesylpiperazino)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H25N3O5S2 MolecularWeight: 403.5168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)C)C

InChI

InChI=1S/C16H25N3O5S2/c1-5-12-11(2)25-15(14(12)16(21)24-3)17-13(20)10-18-6-8-19(9-7-18)26(4,22)23/h5-10H2,1-4H3,(H,17,20)