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

Systemtic Name: methyl 2-[2-(azocan-1-yl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(azocan-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-azocanyl)-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(azocan-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(azocan-1-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3CCCCCCC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CN3CCCCCCC3

InChI

InChI=1S/C21H25FN2O3S/c1-27-21(26)19-17(15-7-9-16(22)10-8-15)14-28-20(19)23-18(25)13-24-11-5-3-2-4-6-12-24/h7-10,14H,2-6,11-13H2,1H3,(H,23,25)