ethyl 4-(2,4-dimethylphenyl)-2-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,4-dimethylphenyl)-2-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[1-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethylphenyl)-2-[[2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-[[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H29F3N4O3S MolecularWeight: 546.60437

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C27H29F3N4O3S/c1-4-37-26(36)24-21(20-7-5-17(2)13-18(20)3)16-38-25(24)32-23(35)15-33-9-11-34(12-10-33)22-8-6-19(14-31-22)27(28,29)30/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,32,35)