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

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H28N4O3S/c1-17-7-8-18(2)19(14-17)20-16-33-24(23(20)25(31)32-3)27-22(30)15-28-10-12-29(13-11-28)21-6-4-5-9-26-21/h4-9,14,16H,10-13,15H2,1-3H3,(H,27,30)