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

Systemtic Name: methyl 4-[5-[(Z)-(5-azanylidene-2-ethyl-7-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(Z)-(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(Z)-(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(Z)-(2-ethyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(Z)-(2-ethyl-5-imino-7-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-furyl]benzoic acid methyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=N)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OC)C(=O)N=C2S1

Isomeric SMILES

CCC1=NN2C(=N)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)OC)/C(=O)N=C2S1

InChI

InChI=1S/C20H16N4O4S/c1-3-16-23-24-17(21)14(18(25)22-20(24)29-16)10-13-8-9-15(28-13)11-4-6-12(7-5-11)19(26)27-2/h4-10,21H,3H2,1-2H3/b14-10-,21-17?