[(E)-7-[2-[(E)-4,4-dimethyloct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-methanoyloxy-1-(methylsulfonylamino)-1-oxidanylidene-hept-5-en-2-yl] methanoate

Systemtic Name: [(E)-7-[2-[(E)-4,4-dimethyloct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-methanoyloxy-1-(methylsulfonylamino)-1-oxidanylidene-hept-5-en-2-yl] methanoate Openeye Name: [(E)-6-[2-[(E)-4,4-dimethyloct-1-enyl]-5-oxo-cyclopentyl]-1-formyloxy-1-(methylsulfonylcarbamoyl)hex-4-enyl] formate CAS Name: formic acid [(E)-7-[2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-2-formyloxy-1-(methanesulfonamido)-1-oxohept-5-en-2-yl] ester IUPAC Name: [(E)-7-[2-[(E)-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-2-formyloxy-1-(methanesulfonamido)-1-oxohept-5-en-2-yl] formate Traditional Name: formic acid [(E)-6-[2-[(E)-4,4-dimethyloct-1-enyl]-5-keto-cyclopentyl]-1-formyloxy-1-(mesylcarbamoyl)hex-4-enyl] ester Formula: C25H39NO8S MolecularWeight: 513.64406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)CC=CC1CCC(=O)C1CC=CCCC(C(=O)NS(=O)(=O)C)(OC=O)OC=O

Isomeric SMILES

CCCCC(C)(C)C/C=C/C1CCC(=O)C1C/C=C/CCC(C(=O)NS(=O)(=O)C)(OC=O)OC=O

InChI

InChI=1S/C25H39NO8S/c1-5-6-15-24(2,3)16-10-11-20-13-14-22(29)21(20)12-8-7-9-17-25(33-18-27,34-19-28)23(30)26-35(4,31)32/h7-8,10-11,18-21H,5-6,9,12-17H2,1-4H3,(H,26,30)/b8-7+,11-10+