[4-(2-acetyloxyphenyl)carbonylsulfanylphenyl] 5-methyl-4-oxidanidyl-pyrazin-4-ium-2-carboxylate

Systemtic Name: [4-(2-acetyloxyphenyl)carbonylsulfanylphenyl] 5-methyl-4-oxidanidyl-pyrazin-4-ium-2-carboxylate Openeye Name: [4-(2-acetoxybenzoyl)sulfanylphenyl] 5-methyl-4-oxido-pyrazin-4-ium-2-carboxylate CAS Name: 5-methyl-4-oxido-2-pyrazin-4-iumcarboxylic acid [4-[[(2-acetyloxyphenyl)-oxomethyl]thio]phenyl] ester IUPAC Name: [4-(2-acetyloxybenzoyl)sulfanylphenyl] 5-methyl-4-oxidopyrazin-4-ium-2-carboxylate Traditional Name: 5-methyl-4-oxido-pyrazin-4-ium-2-carboxylic acid [4-[(2-acetoxybenzoyl)thio]phenyl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=[N+]1[O-])C(=O)OC2=CC=C(C=C2)SC(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

CC1=CN=C(C=[N+]1[O-])C(=O)OC2=CC=C(C=C2)SC(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C21H16N2O6S/c1-13-11-22-18(12-23(13)27)20(25)29-15-7-9-16(10-8-15)30-21(26)17-5-3-4-6-19(17)28-14(2)24/h3-12H,1-2H3