ethyl 2-[(3E)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[(3E)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)-2-oxidanylidene-indol-1-yl]ethanoate Openeye Name: ethyl 2-[(3E)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazono)-2-oxo-indolin-1-yl]acetate CAS Name: 2-[(3E)-3-[[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]hydrazinylidene]-2-oxo-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3E)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)-2-oxoindol-1-yl]acetate Traditional Name: 2-[(3E)-2-keto-3-(2-morpholin-4-ium-4-ylethylthiocarbamoylhydrazono)indolin-1-yl]acetic acid ethyl ester Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=NNC(=S)NCC[NH+]3CCOCC3)C1=O

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2/C(=N\NC(=S)NCC[NH+]3CCOCC3)/C1=O

InChI

InChI=1S/C19H25N5O4S/c1-2-28-16(25)13-24-15-6-4-3-5-14(15)17(18(24)26)21-22-19(29)20-7-8-23-9-11-27-12-10-23/h3-6H,2,7-13H2,1H3,(H2,20,22,29)/p+1/b21-17+