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

Systemtic Name: methyl 2-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-fluorophenyl)piperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C19H22FN3O3S/c1-13-11-14(19(25)26-2)18(27-13)21-17(24)12-22-7-9-23(10-8-22)16-6-4-3-5-15(16)20/h3-6,11H,7-10,12H2,1-2H3,(H,21,24)