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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-3-28-21(27)18-12-15(2)29-20(18)23-19(26)14-25-10-8-24(9-11-25)13-16-4-6-17(22)7-5-16/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,23,26)