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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F)C(=O)OC

InChI

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