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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=CC=N3)C(=O)N(C)C

InChI

InChI=1S/C21H27N5O4S/c1-14-17(21(29)30-4)19(31-18(14)20(28)24(2)3)23-16(27)13-25-9-11-26(12-10-25)15-7-5-6-8-22-15/h5-8H,9-13H2,1-4H3,(H,23,27)