(2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-1-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-1-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-2-one Formula: C31H24FN3O7S2 MolecularWeight: 633.666563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)F)O)C(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@H]2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)F)O)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C31H24FN3O7S2/c1-39-22-13-18(14-23(40-2)28(22)41-3)25-24(26(36)21-12-17-6-4-5-7-20(17)42-21)27(37)29(38)35(25)30-33-34-31(44-30)43-15-16-8-10-19(32)11-9-16/h4-14,25,37H,15H2,1-3H3/t25-/m0/s1