methyl 3-[2-(3-azanyloxy-3-oxidanylidene-propyl)-3-(4-tert-butylphenyl)sulfonyl-1-benzofuran-5-yl]propanoate

Systemtic Name: methyl 3-[2-(3-azanyloxy-3-oxidanylidene-propyl)-3-(4-tert-butylphenyl)sulfonyl-1-benzofuran-5-yl]propanoate Openeye Name: methyl 3-[2-(3-aminooxy-3-oxo-propyl)-3-(4-tert-butylphenyl)sulfonyl-benzofuran-5-yl]propanoate CAS Name: 3-[2-(3-aminooxy-3-oxopropyl)-3-(4-tert-butylphenyl)sulfonyl-5-benzofuranyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-aminooxy-3-oxopropyl)-3-(4-tert-butylphenyl)sulfonyl-1-benzofuran-5-yl]propanoate Traditional Name: 3-[2-(3-aminooxy-3-keto-propyl)-3-(4-tert-butylphenyl)sulfonyl-benzofuran-5-yl]propionic acid methyl ester Formula: C25H29NO7S MolecularWeight: 487.56526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(OC3=C2C=C(C=C3)CCC(=O)OC)CCC(=O)ON

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=C(OC3=C2C=C(C=C3)CCC(=O)OC)CCC(=O)ON

InChI

InChI=1S/C25H29NO7S/c1-25(2,3)17-7-9-18(10-8-17)34(29,30)24-19-15-16(6-13-22(27)31-4)5-11-20(19)32-21(24)12-14-23(28)33-26/h5,7-11,15H,6,12-14,26H2,1-4H3