ethyl 4-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1-piperazinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]piperazino]-4-keto-butyric acid ethyl ester Formula: C19H23FN4O3S MolecularWeight: 406.474323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN4O3S/c1-2-27-18(26)8-7-17(25)23-9-11-24(12-10-23)19-21-16(22-28-19)13-14-3-5-15(20)6-4-14/h3-6H,2,7-13H2,1H3