ethyl (7E)-4-oxidanidyl-1-oxidanyl-3-phenyl-7-[(prop-2-enylcarbamothioyldiazenyl)methylidene]quinoxalin-4-ium-2-carboxylate

Systemtic Name: ethyl (7E)-4-oxidanidyl-1-oxidanyl-3-phenyl-7-[(prop-2-enylcarbamothioyldiazenyl)methylidene]quinoxalin-4-ium-2-carboxylate Openeye Name: ethyl (7E)-7-(allylcarbamothioylazomethylene)-1-hydroxy-4-oxido-3-phenyl-quinoxalin-4-ium-2-carboxylate CAS Name: (7E)-1-hydroxy-4-oxido-3-phenyl-7-[[(prop-2-enylamino)-sulfanylidenemethyl]azomethylidene]-2-quinoxalin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (7E)-1-hydroxy-4-oxido-3-phenyl-7-[(prop-2-enylcarbamothioyldiazenyl)methylidene]quinoxalin-4-ium-2-carboxylate Traditional Name: (7E)-7-(allylthiocarbamoylazomethylene)-1-hydroxy-4-oxido-3-phenyl-quinoxalin-4-ium-2-carboxylic acid ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C2C=CC(=CN=NC(=S)NCC=C)C=C2N1O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([N+](=C2C=C/C(=C\N=NC(=S)NCC=C)/C=C2N1O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H21N5O4S/c1-3-12-23-22(32)25-24-14-15-10-11-17-18(13-15)27(30)20(21(28)31-4-2)19(26(17)29)16-8-6-5-7-9-16/h3,5-11,13-14,30H,1,4,12H2,2H3,(H,23,32)/b15-14+,25-24?