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

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2-phenyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one Openeye Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one CAS Name: 4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-phenyl-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one IUPAC Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-2H-pyrrol-5-one Traditional Name: 1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-5-phenyl-3-pyrrolin-2-one Formula: C29H21N3O5S2 MolecularWeight: 555.62414

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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)C5=NN=C(S5)SCC6=CC=CC=C6)O

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O5S2/c1-36-20-14-8-13-19-15-21(37-26(19)20)24(33)22-23(18-11-6-3-7-12-18)32(27(35)25(22)34)28-30-31-29(39-28)38-16-17-9-4-2-5-10-17/h2-15,23,34H,16H2,1H3