2-(3-bromophenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 2-(3-bromophenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 2-(3-bromophenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(3-bromophenyl)-1-[5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2H-pyrrol-5-one IUPAC Name: 2-(3-bromophenyl)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(3-bromophenyl)-1-[5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-2-one Formula: C29H19BrFN3O5S2 MolecularWeight: 652.510663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)Br)C5=NN=C(S5)SCC6=CC=C(C=C6)F)O

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC(=CC=C4)Br)C5=NN=C(S5)SCC6=CC=C(C=C6)F)O

InChI

InChI=1S/C29H19BrFN3O5S2/c1-38-20-7-3-5-17-13-21(39-26(17)20)24(35)22-23(16-4-2-6-18(30)12-16)34(27(37)25(22)36)28-32-33-29(41-28)40-14-15-8-10-19(31)11-9-15/h2-13,23,36H,14H2,1H3