2-methoxyethyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C20H21Br2N3O6S MolecularWeight: 591.27024

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br

InChI

InChI=1S/C20H21Br2N3O6S/c1-29-8-9-30-18(28)7-6-16(26)23-20(32)25-24-17(27)11-31-15-5-2-12-10-13(21)3-4-14(12)19(15)22/h2-5,10H,6-9,11H2,1H3,(H,24,27)(H2,23,25,26,32)