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

Systemtic Name: methyl 4-ethyl-2-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[2-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-[4-(4-fluorobenzyl)piperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H28FN3O3S MolecularWeight: 433.539423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H28FN3O3S/c1-4-18-15(2)30-21(20(18)22(28)29-3)24-19(27)14-26-11-9-25(10-12-26)13-16-5-7-17(23)8-6-16/h5-8H,4,9-14H2,1-3H3,(H,24,27)