(phenylmethyl) 4-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-(2-methoxy-2-oxidanylidene-ethyl)indol-5-yl]oxybutanoate

Systemtic Name: (phenylmethyl) 4-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-(2-methoxy-2-oxidanylidene-ethyl)indol-5-yl]oxybutanoate Openeye Name: benzyl 4-[1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-(2-methoxy-2-oxo-ethyl)indol-5-yl]oxybutanoate CAS Name: 4-[[1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-3-(2-methoxy-2-oxoethyl)-5-indolyl]oxy]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-(2-methoxy-2-oxoethyl)indol-5-yl]oxybutanoate Traditional Name: 4-[1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-(2-keto-2-methoxy-ethyl)indol-5-yl]oxybutyric acid benzyl ester Formula: C38H38N2O6S MolecularWeight: 650.78312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C=C(C5=C4C=CC(=C5)OCCCC(=O)OCC6=CC=CC=C6)CC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C=C(C5=C4C=CC(=C5)OCCCC(=O)OCC6=CC=CC=C6)CC(=O)OC

InChI

InChI=1S/C38H38N2O6S/c1-38(2,3)34-24-47-37(39-34)33-18-27-17-26(12-15-32(27)46-33)21-40-22-28(19-36(42)43-4)30-20-29(13-14-31(30)40)44-16-8-11-35(41)45-23-25-9-6-5-7-10-25/h5-7,9-10,12-15,17-18,20,22,24H,8,11,16,19,21,23H2,1-4H3