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

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(4-isopentyloxy-3-methoxy-phenyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(4-isoamoxy-3-methoxy-phenyl)-3-pyrrolin-2-one Formula: C34H31N3O6S2 MolecularWeight: 641.75644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC6=CC=CC=C6O5)OC

InChI

InChI=1S/C34H31N3O6S2/c1-20(2)15-16-42-25-14-13-23(18-26(25)41-3)29-28(30(38)27-17-22-11-7-8-12-24(22)43-27)31(39)32(40)37(29)33-35-36-34(45-33)44-19-21-9-5-4-6-10-21/h4-14,17-18,20,29,39H,15-16,19H2,1-3H3/t29-/m0/s1