methyl 4-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-methyl]sulfanylbutanoate

Systemtic Name: methyl 4-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-methyl]sulfanylbutanoate Openeye Name: methyl 4-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]-(4-methoxy-4-oxo-butyl)sulfanyl-methyl]sulfanylbutanoate CAS Name: 4-[[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]-[(4-methoxy-4-oxobutyl)thio]methyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]-(4-methoxy-4-oxobutyl)sulfanylmethyl]sulfanylbutanoate Traditional Name: 4-[[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]-[(4-keto-4-methoxy-butyl)thio]methyl]thio]butyric acid methyl ester Formula: C26H33NO5S3 MolecularWeight: 535.73892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)C(SCCCC(=O)OC)SCCCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)C(SCCCC(=O)OC)SCCCC(=O)OC

InChI

InChI=1S/C26H33NO5S3/c1-26(2,3)21-16-35-24(27-21)20-15-18-14-17(10-11-19(18)32-20)25(33-12-6-8-22(28)30-4)34-13-7-9-23(29)31-5/h10-11,14-16,25H,6-9,12-13H2,1-5H3