methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-1-[5-[(2,4-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-1-[5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C30H19Cl2N3O6S2 MolecularWeight: 652.52436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H19Cl2N3O6S2/c1-40-28(39)16-8-6-15(7-9-16)24-23(25(36)22-12-17-4-2-3-5-21(17)41-22)26(37)27(38)35(24)29-33-34-30(43-29)42-14-18-10-11-19(31)13-20(18)32/h2-13,24,37H,14H2,1H3