methyl 4-ethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-[4-(4-fluorophenyl)piperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26FN3O3S MolecularWeight: 419.512843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H26FN3O3S/c1-4-17-14(2)29-20(19(17)21(27)28-3)23-18(26)13-24-9-11-25(12-10-24)16-7-5-15(22)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,23,26)