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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(3-fluorobenzyl)piperazino]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27FN4O4S MolecularWeight: 462.537583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H27FN4O4S/c1-3-31-22(30)18-14(2)19(20(24)29)32-21(18)25-17(28)13-27-9-7-26(8-10-27)12-15-5-4-6-16(23)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3,(H2,24,29)(H,25,28)