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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-(4-mesylpiperazino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H22N4O6S2 MolecularWeight: 418.48838

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O6S2/c1-9-11(15(22)25-2)14(26-12(9)13(16)21)17-10(20)8-18-4-6-19(7-5-18)27(3,23)24/h4-8H2,1-3H3,(H2,16,21)(H,17,20)