ethyl (E)-4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C15H16BrN3O5S MolecularWeight: 430.27364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)Br

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H16BrN3O5S/c1-2-23-14(22)8-7-12(20)17-15(25)19-18-13(21)9-24-11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,18,21)(H2,17,19,20,25)/b8-7+