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

Systemtic Name: methyl 4-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-chlorophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H16ClN3O5S MolecularWeight: 373.81194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=CC=C1Cl

InChI

InChI=1S/C14H16ClN3O5S/c1-22-13(21)7-6-11(19)16-14(24)18-17-12(20)8-23-10-5-3-2-4-9(10)15/h2-5H,6-8H2,1H3,(H,17,20)(H2,16,18,19,24)