ethyl (E)-4-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C15H16IN3O5S MolecularWeight: 477.27411

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)C1=CC(=C(C=C1)OC)I

Isomeric SMILES

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

InChI

InChI=1S/C15H16IN3O5S/c1-3-24-13(21)7-6-12(20)17-15(25)19-18-14(22)9-4-5-11(23-2)10(16)8-9/h4-8H,3H2,1-2H3,(H,18,22)(H2,17,19,20,25)/b7-6+