[4-[(Z)-(5-azanylidene-7-oxidanylidene-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] furan-2-carboxylate

Systemtic Name: [4-[(Z)-(5-azanylidene-7-oxidanylidene-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] furan-2-carboxylate Openeye Name: [4-[(Z)-[2-(1-ethylpropyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(Z)-(5-imino-7-oxo-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(5-imino-7-oxo-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(Z)-[2-(1-ethylpropyl)-5-imino-7-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN2C(=N)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=CO4)C(=O)N=C2S1

Isomeric SMILES

CCC(CC)C1=NN2C(=N)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=CO4)/C(=O)N=C2S1

InChI

InChI=1S/C22H20N4O4S/c1-3-14(4-2)20-25-26-18(23)16(19(27)24-22(26)31-20)12-13-7-9-15(10-8-13)30-21(28)17-6-5-11-29-17/h5-12,14,23H,3-4H2,1-2H3/b16-12-,23-18?