2-methoxyethyl 4-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H28BrN3O6S MolecularWeight: 518.42182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)Br

InChI

InChI=1S/C20H28BrN3O6S/c1-20(2,3)13-5-6-15(14(21)11-13)30-12-17(26)23-24-19(31)22-16(25)7-8-18(27)29-10-9-28-4/h5-6,11H,7-10,12H2,1-4H3,(H,23,26)(H2,22,24,25,31)