methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-[5-[(2-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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-chlorophenyl)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-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C30H20ClN3O6S2 MolecularWeight: 618.0793

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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=CC=CC=C4Cl)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=CC=CC=C4Cl)O)C(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C30H20ClN3O6S2/c1-39-28(38)17-12-10-16(11-13-17)24-23(25(35)22-14-18-6-3-5-9-21(18)40-22)26(36)27(37)34(24)29-32-33-30(42-29)41-15-19-7-2-4-8-20(19)31/h2-14,24,36H,15H2,1H3