propan-2-yl 3-(2-butoxycarbonyl-3-oxidanylidene-butanoyl)-2-methyl-6-methylsulfonyl-benzoate

Systemtic Name: propan-2-yl 3-(2-butoxycarbonyl-3-oxidanylidene-butanoyl)-2-methyl-6-methylsulfonyl-benzoate Openeye Name: isopropyl 3-(2-butoxycarbonyl-3-oxo-butanoyl)-2-methyl-6-methylsulfonyl-benzoate CAS Name: 3-[2-[butoxy(oxo)methyl]-1,3-dioxobutyl]-2-methyl-6-methylsulfonylbenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-butoxycarbonyl-3-oxobutanoyl)-2-methyl-6-methylsulfonylbenzoate Traditional Name: 3-(2-butoxycarbonyl-3-keto-butanoyl)-6-mesyl-2-methyl-benzoic acid isopropyl ester Formula: C21H28O8S MolecularWeight: 440.50722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=O)C)C(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C)C

Isomeric SMILES

CCCCOC(=O)C(C(=O)C)C(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C)C

InChI

InChI=1S/C21H28O8S/c1-7-8-11-28-20(24)18(14(5)22)19(23)15-9-10-16(30(6,26)27)17(13(15)4)21(25)29-12(2)3/h9-10,12,18H,7-8,11H2,1-6H3