[4-[(E)-[5-azanylidene-7-oxidanylidene-2-[(1R)-1-phenylpropyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-[5-azanylidene-7-oxidanylidene-2-[(1R)-1-phenylpropyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-[5-imino-7-oxo-2-[(1R)-1-phenylpropyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-[5-imino-7-oxo-2-[(1R)-1-phenylpropyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[5-imino-7-oxo-2-[(1R)-1-phenylpropyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-[5-imino-7-keto-2-[(1R)-1-phenylpropyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] ester Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=NN3C(=N)C(=CC4=CC=C(C=C4)OC(=O)C5=CC=CO5)C(=O)N=C3S2

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C2=NN3C(=N)/C(=C\C4=CC=C(C=C4)OC(=O)C5=CC=CO5)/C(=O)N=C3S2

InChI

InChI=1S/C26H20N4O4S/c1-2-19(17-7-4-3-5-8-17)24-29-30-22(27)20(23(31)28-26(30)35-24)15-16-10-12-18(13-11-16)34-25(32)21-9-6-14-33-21/h3-15,19,27H,2H2,1H3/b20-15+,27-22?/t19-/m1/s1