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

Systemtic Name: [4-[[5-azanylidene-2-(furan-2-yl)-7-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[[2-(2-furyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[[2-(2-furanyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[2-(furan-2-yl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[[2-(2-furyl)-5-imino-7-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C22H14N4O5S2 MolecularWeight: 478.50036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=N)N3C(=NC2=O)SC(=N3)C4=CC=CO4)OC(=O)C5=CC=CS5

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=N)N3C(=NC2=O)SC(=N3)C4=CC=CO4)OC(=O)C5=CC=CS5

InChI

InChI=1S/C22H14N4O5S2/c1-29-16-11-12(6-7-14(16)31-21(28)17-5-3-9-32-17)10-13-18(23)26-22(24-19(13)27)33-20(25-26)15-4-2-8-30-15/h2-11,23H,1H3