ethyl 4-[2-oxidanylidene-2-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate Openeye Name: ethyl 4-[2-oxo-2-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazino]ethoxy]benzoate CAS Name: 4-[2-oxo-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[2-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]hydrazinyl]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[N'-[[(E)-3-phenylacryloyl]thiocarbamoyl]hydrazino]ethoxy]benzoic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H21N3O5S/c1-2-28-20(27)16-9-11-17(12-10-16)29-14-19(26)23-24-21(30)22-18(25)13-8-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3,(H,23,26)(H2,22,24,25,30)/b13-8+