ethyl (E)-4-oxidanylidene-4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[[(4-allyloxybenzoyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[(4-prop-2-enoxybenzoyl)amino]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-[[(4-allyloxybenzoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S/c1-3-11-25-13-7-5-12(6-8-13)16(23)19-20-17(26)18-14(21)9-10-15(22)24-4-2/h3,5-10H,1,4,11H2,2H3,(H,19,23)(H2,18,20,21,26)/b10-9+