ethyl (E)-4-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)COC1=CC=CC(=C1C)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)COC1=CC=CC(=C1C)C

InChI

InChI=1S/C17H21N3O5S/c1-4-24-16(23)9-8-14(21)18-17(26)20-19-15(22)10-25-13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3,(H,19,22)(H2,18,20,21,26)/b9-8+