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

Systemtic Name: ethyl 4-[2-[2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]carbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[[(E)-4-ethoxy-4-oxo-but-2-enoyl]carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(E)-4-ethoxy-1,4-dioxobut-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[[(E)-4-ethoxy-4-keto-but-2-enoyl]thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C18H21N3O7S MolecularWeight: 423.44024

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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7S/c1-3-26-16(24)10-9-14(22)19-18(29)21-20-15(23)11-28-13-7-5-12(6-8-13)17(25)27-4-2/h5-10H,3-4,11H2,1-2H3,(H,20,23)(H2,19,21,22,29)/b10-9+