methyl 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpiperazino)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C20H24FN3O3S MolecularWeight: 405.486263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H24FN3O3S/c1-3-23-8-10-24(11-9-23)12-17(25)22-19-18(20(26)27-2)16(13-28-19)14-4-6-15(21)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H,22,25)