ethyl 2-[(3E)-3-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]-2-oxidanylidene-indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3E)-3-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]-2-oxidanylidene-indol-1-yl]ethanoate Openeye Name: ethyl 2-[(3E)-3-[(4-fluorophenyl)methylcarbamothioylhydrazono]-2-oxo-indolin-1-yl]acetate CAS Name: 2-[(3E)-3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]-2-oxo-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3E)-3-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]-2-oxoindol-1-yl]acetate Traditional Name: 2-[(3E)-3-[(4-fluorobenzyl)thiocarbamoylhydrazono]-2-keto-indolin-1-yl]acetic acid ethyl ester Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=NNC(=S)NCC3=CC=C(C=C3)F)C1=O

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2/C(=N\NC(=S)NCC3=CC=C(C=C3)F)/C1=O

InChI

InChI=1S/C20H19FN4O3S/c1-2-28-17(26)12-25-16-6-4-3-5-15(16)18(19(25)27)23-24-20(29)22-11-13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3,(H2,22,24,29)/b23-18+