[4-[(Z)-[(2E)-5-azanylidene-7-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(Z)-[(2E)-5-azanylidene-7-oxidanylidene-2-(2-oxidanylidene-2-piperidin-1-yl-ethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(Z)-[(2E)-5-imino-7-oxo-2-[2-oxo-2-(1-piperidyl)ethylidene]-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(Z)-[(2E)-5-imino-7-oxo-2-[2-oxo-2-(1-piperidinyl)ethylidene]-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] ester IUPAC Name: [4-[(Z)-[(2E)-5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(Z)-[(2E)-5-imino-7-keto-2-(2-keto-2-piperidino-ethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] ester Formula: C26H22FN5O4S MolecularWeight: 519.547383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C=C2NN3C(=N)C(=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)F)C(=O)N=C3S2

Isomeric SMILES

C1CCN(CC1)C(=O)/C=C/2\NN3C(=N)/C(=C/C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)F)/C(=O)N=C3S2

InChI

InChI=1S/C26H22FN5O4S/c27-18-8-6-17(7-9-18)25(35)36-19-10-4-16(5-11-19)14-20-23(28)32-26(29-24(20)34)37-21(30-32)15-22(33)31-12-2-1-3-13-31/h4-11,14-15,28,30H,1-3,12-13H2/b20-14-,21-15+,28-23?