ethyl (E)-4-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-[2,4-bis(chloranyl)phenoxy]propanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[2-(2,4-dichlorophenoxy)propanoylamino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C16H17Cl2N3O5S MolecularWeight: 434.29428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O5S/c1-3-25-14(23)7-6-13(22)19-16(27)21-20-15(24)9(2)26-12-5-4-10(17)8-11(12)18/h4-9H,3H2,1-2H3,(H,20,24)(H2,19,21,22,27)/b7-6+