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

Systemtic Name: 1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2-(3-pentoxyphenyl)-2H-pyrrol-5-one Openeye Name: 1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-2-(3-pentoxyphenyl)-2H-pyrrol-5-one CAS Name: 1-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(3-pentoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-pentoxyphenyl)-2H-pyrrol-5-one Traditional Name: 5-(3-amoxyphenyl)-1-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-2-one Formula: C34H30ClN3O6S2 MolecularWeight: 676.2015

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC

InChI

InChI=1S/C34H30ClN3O6S2/c1-3-4-5-16-43-24-10-6-8-21(17-24)28-27(29(39)26-18-22-9-7-11-25(42-2)31(22)44-26)30(40)32(41)38(28)33-36-37-34(46-33)45-19-20-12-14-23(35)15-13-20/h6-15,17-18,28,40H,3-5,16,19H2,1-2H3