diethyl 2-[3-[3-(4-ethanoylpiperazin-1-yl)-4-fluoranyl-phenyl]-1,3-thiazetidin-2-ylidene]propanedioate

Systemtic Name: diethyl 2-[3-[3-(4-ethanoylpiperazin-1-yl)-4-fluoranyl-phenyl]-1,3-thiazetidin-2-ylidene]propanedioate Openeye Name: diethyl 2-[3-[3-(4-acetylpiperazin-1-yl)-4-fluoro-phenyl]-1,3-thiazetidin-2-ylidene]propanedioate CAS Name: 2-[3-[3-(4-acetyl-1-piperazinyl)-4-fluorophenyl]-1,3-thiazetidin-2-ylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[3-(4-acetylpiperazin-1-yl)-4-fluorophenyl]-1,3-thiazetidin-2-ylidene]propanedioate Traditional Name: 2-[3-[3-(4-acetylpiperazino)-4-fluoro-phenyl]-1,3-thiazetidin-2-ylidene]malonic acid diethyl ester Formula: C21H26FN3O5S MolecularWeight: 451.511643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(CS1)C2=CC(=C(C=C2)F)N3CCN(CC3)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C1N(CS1)C2=CC(=C(C=C2)F)N3CCN(CC3)C(=O)C)C(=O)OCC

InChI

InChI=1S/C21H26FN3O5S/c1-4-29-20(27)18(21(28)30-5-2)19-25(13-31-19)15-6-7-16(22)17(12-15)24-10-8-23(9-11-24)14(3)26/h6-7,12H,4-5,8-11,13H2,1-3H3