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

Systemtic Name: ethyl (E)-4-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C15H16N4O7S MolecularWeight: 396.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O7S/c1-2-25-14(22)8-7-12(20)16-15(27)18-17-13(21)9-26-11-5-3-10(4-6-11)19(23)24/h3-8H,2,9H2,1H3,(H,17,21)(H2,16,18,20,27)/b8-7+