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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H21N3O5S/c1-3-12-5-7-13(8-6-12)25-11-15(22)19-20-17(26)18-14(21)9-10-16(23)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,22)(H2,18,20,21,26)/b10-9+