ethyl (E)-4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S/c1-5-27-14(22)7-6-13(21)18-17(28)20-19-16(23)10-8-11(24-2)15(26-4)12(9-10)25-3/h6-9H,5H2,1-4H3,(H,19,23)(H2,18,20,21,28)/b7-6+