methyl 3-(ethylsulfanylmethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-(ethylsulfanylmethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(ethylsulfanylmethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[(ethylthio)methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(ethylsulfanylmethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(ethylthio)methyl]-1-keto-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)OC

Isomeric SMILES

CCSCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)OC

InChI

InChI=1S/C13H14N2O4S/c1-3-20-8-11-12(13(16)19-2)15(18)10-7-5-4-6-9(10)14(11)17/h4-7H,3,8H2,1-2H3