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

Systemtic Name: ethyl (7E)-3-methyl-4-oxidanidyl-1-oxidanyl-7-[(prop-2-enylcarbamothioyldiazenyl)methylidene]quinoxalin-4-ium-2-carboxylate Openeye Name: ethyl (7E)-7-(allylcarbamothioylazomethylene)-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-carboxylate CAS Name: (7E)-1-hydroxy-3-methyl-4-oxido-7-[[(prop-2-enylamino)-sulfanylidenemethyl]azomethylidene]-2-quinoxalin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (7E)-1-hydroxy-3-methyl-4-oxido-7-[(prop-2-enylcarbamothioyldiazenyl)methylidene]quinoxalin-4-ium-2-carboxylate Traditional Name: (7E)-7-(allylthiocarbamoylazomethylene)-1-hydroxy-3-methyl-4-oxido-quinoxalin-4-ium-2-carboxylic acid ethyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-4-8-18-17(27)20-19-10-12-6-7-13-14(9-12)22(25)15(11(3)21(13)24)16(23)26-5-2/h4,6-7,9-10,25H,1,5,8H2,2-3H3,(H,18,27)/b12-10+,20-19?