ethyl 5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]oxy-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]oxy-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]oxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]oxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[4-(methylthio)-2-phthalimido-butanoyl]oxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C30H25NO7S MolecularWeight: 543.587

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C30H25NO7S/c1-3-36-30(35)25-22-17-19(13-14-24(22)38-26(25)18-9-5-4-6-10-18)37-29(34)23(15-16-39-2)31-27(32)20-11-7-8-12-21(20)28(31)33/h4-14,17,23H,3,15-16H2,1-2H3