2-methoxyethyl 4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C17H21Br2N3O6S MolecularWeight: 555.23814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)Br)Br

InChI

InChI=1S/C17H21Br2N3O6S/c1-10-7-11(18)8-12(19)16(10)28-9-14(24)21-22-17(29)20-13(23)3-4-15(25)27-6-5-26-2/h7-8H,3-6,9H2,1-2H3,(H,21,24)(H2,20,22,23,29)