methyl 4-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H16N4O7S MolecularWeight: 384.36444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O7S/c1-24-13(21)7-6-11(19)15-14(26)17-16-12(20)8-25-10-4-2-9(3-5-10)18(22)23/h2-5H,6-8H2,1H3,(H,16,20)(H2,15,17,19,26)