methyl 3-[(3-methoxy-3-oxidanylidene-propyl)sulfanyl-(2-quinolin-2-yl-1-benzofuran-5-yl)methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(3-methoxy-3-oxidanylidene-propyl)sulfanyl-(2-quinolin-2-yl-1-benzofuran-5-yl)methyl]sulfanylpropanoate Openeye Name: methyl 3-[(3-methoxy-3-oxo-propyl)sulfanyl-[2-(2-quinolyl)benzofuran-5-yl]methyl]sulfanylpropanoate CAS Name: 3-[[[(3-methoxy-3-oxopropyl)thio]-[2-(2-quinolinyl)-5-benzofuranyl]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl-(2-quinolin-2-yl-1-benzofuran-5-yl)methyl]sulfanylpropanoate Traditional Name: 3-[[[(3-keto-3-methoxy-propyl)thio]-[2-(2-quinolyl)benzofuran-5-yl]methyl]thio]propionic acid methyl ester Formula: C26H25NO5S2 MolecularWeight: 495.6104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC2=C(C=C1)OC(=C2)C3=NC4=CC=CC=C4C=C3)SCCC(=O)OC

Isomeric SMILES

COC(=O)CCSC(C1=CC2=C(C=C1)OC(=C2)C3=NC4=CC=CC=C4C=C3)SCCC(=O)OC

InChI

InChI=1S/C26H25NO5S2/c1-30-24(28)11-13-33-26(34-14-12-25(29)31-2)18-8-10-22-19(15-18)16-23(32-22)21-9-7-17-5-3-4-6-20(17)27-21/h3-10,15-16,26H,11-14H2,1-2H3