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

Systemtic Name: methyl 3-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-(2-quinolin-2-yl-1-benzofuran-5-yl)methyl]sulfanylpropanoate Openeye Name: methyl 3-[[3-(dimethylamino)-3-oxo-propyl]sulfanyl-[2-(2-quinolyl)benzofuran-5-yl]methyl]sulfanylpropanoate CAS Name: 3-[[[[3-(dimethylamino)-3-oxopropyl]thio]-[2-(2-quinolinyl)-5-benzofuranyl]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(dimethylamino)-3-oxopropyl]sulfanyl-(2-quinolin-2-yl-1-benzofuran-5-yl)methyl]sulfanylpropanoate Traditional Name: 3-[[[[3-(dimethylamino)-3-keto-propyl]thio]-[2-(2-quinolyl)benzofuran-5-yl]methyl]thio]propionic acid methyl ester Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S2/c1-29(2)25(30)12-14-34-27(35-15-13-26(31)32-3)19-9-11-23-20(16-19)17-24(33-23)22-10-8-18-6-4-5-7-21(18)28-22/h4-11,16-17,27H,12-15H2,1-3H3