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

Systemtic Name: methyl 3-(methylsulfanylmethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(methylsulfanylmethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[(methylthio)methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(methylsulfanylmethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-keto-3-[(methylthio)methyl]-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC

Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC

InChI

InChI=1S/C12H12N2O4S/c1-18-12(15)11-10(7-19-2)13(16)8-5-3-4-6-9(8)14(11)17/h3-6H,7H2,1-2H3