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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(4-methylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[2-(4-mesylpiperazino)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H26N4O6S2 MolecularWeight: 446.54154

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O6S2/c1-11-13(17(24)27-4)15(28-14(11)16(23)19(2)3)18-12(22)10-20-6-8-21(9-7-20)29(5,25)26/h6-10H2,1-5H3,(H,18,22)