methyl 2-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyano-indol-7-yl]oxyethanoate

Systemtic Name: methyl 2-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyano-indol-7-yl]oxyethanoate Openeye Name: methyl 2-[1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-cyano-indol-7-yl]oxyacetate CAS Name: 2-[[1-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]methyl]-3-cyano-7-indolyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]methyl]-3-cyanoindol-7-yl]oxyacetate Traditional Name: 2-[1-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]methyl]-3-cyano-indol-7-yl]oxyacetic acid methyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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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)OCC(=O)OC)C#N

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC3=C(O2)C=CC(=C3)CN4C=C(C5=C4C(=CC=C5)OCC(=O)OC)C#N

InChI

InChI=1S/C28H25N3O4S/c1-28(2,3)24-16-36-27(30-24)23-11-18-10-17(8-9-21(18)35-23)13-31-14-19(12-29)20-6-5-7-22(26(20)31)34-15-25(32)33-4/h5-11,14,16H,13,15H2,1-4H3