methyl 4-[[5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[oxo-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[5-[3-(trifluoromethyl)phenyl]-2-furoyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H16F3N3O4S2 MolecularWeight: 519.51605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H16F3N3O4S2/c1-32-20(31)14-7-5-13(6-8-14)12-34-22-29-28-21(35-22)27-19(30)18-10-9-17(33-18)15-3-2-4-16(11-15)23(24,25)26/h2-11H,12H2,1H3,(H,27,28,30)