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

Systemtic Name: ethyl (E)-4-[[2-(4-methylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[2-(4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[[2-(4-methylphenoxy)acetyl]amino]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C

InChI

InChI=1S/C16H19N3O5S/c1-3-23-15(22)9-8-13(20)17-16(25)19-18-14(21)10-24-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,18,21)(H2,17,19,20,25)/b9-8+