S-[[1-oxidanidyl-4-oxidanylidene-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl] ethanethioate

Systemtic Name: S-[[1-oxidanidyl-4-oxidanylidene-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl] ethanethioate Openeye Name: S-[(3-benzoyl-1-oxido-4-oxo-quinoxalin-4-ium-2-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(3-benzoyl-1-oxido-4-oxo-2-quinoxalin-4-iumyl)methyl] ester IUPAC Name: S-[(3-benzoyl-1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(3-benzoyl-4-keto-1-oxido-quinoxalin-4-ium-2-yl)methyl] ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)SCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O4S/c1-12(21)25-11-16-17(18(22)13-7-3-2-4-8-13)20(24)15-10-6-5-9-14(15)19(16)23/h2-10H,11H2,1H3