O1-(4-ethanoylpiperazin-1-yl) O3-ethyl (2E)-2-[[(4-fluorophenyl)amino]-sulfanyl-methylidene]propanedioate

Systemtic Name: O1-(4-ethanoylpiperazin-1-yl) O3-ethyl (2E)-2-[[(4-fluorophenyl)amino]-sulfanyl-methylidene]propanedioate Openeye Name: O1-(4-acetylpiperazin-1-yl) O3-ethyl (2E)-2-[(4-fluoroanilino)-sulfanyl-methylene]propanedioate CAS Name: (2E)-2-[(4-fluoroanilino)-mercaptomethylidene]propanedioic acid O1-(4-acetyl-1-piperazinyl) ester O3-ethyl ester IUPAC Name: 1-O-(4-acetylpiperazin-1-yl) 3-O-ethyl (2E)-2-[(4-fluoroanilino)-sulfanylmethylidene]propanedioate Traditional Name: (2E)-2-[(4-fluoroanilino)-mercapto-methylene]malonic acid O1-(4-acetylpiperazino) ester O3-ethyl ester Formula: C18H22FN3O5S MolecularWeight: 411.447783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=C(C=C1)F)S)C(=O)ON2CCN(CC2)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C(/NC1=CC=C(C=C1)F)\S)/C(=O)ON2CCN(CC2)C(=O)C

InChI

InChI=1S/C18H22FN3O5S/c1-3-26-17(24)15(16(28)20-14-6-4-13(19)5-7-14)18(25)27-22-10-8-21(9-11-22)12(2)23/h4-7,20,28H,3,8-11H2,1-2H3/b16-15+