2-methoxyethyl 4-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2,4-dibromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C16H19Br2N3O6S MolecularWeight: 541.21156

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)Br

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)Br

InChI

InChI=1S/C16H19Br2N3O6S/c1-25-6-7-26-15(24)5-4-13(22)19-16(28)21-20-14(23)9-27-12-3-2-10(17)8-11(12)18/h2-3,8H,4-7,9H2,1H3,(H,20,23)(H2,19,21,22,28)