ethyl 2-(2-methylsulfanyl-5-oxidanidyl-4-oxidanylidene-benzo[g]pteridin-5-ium-3-yl)ethanoate

Systemtic Name: ethyl 2-(2-methylsulfanyl-5-oxidanidyl-4-oxidanylidene-benzo[g]pteridin-5-ium-3-yl)ethanoate Openeye Name: ethyl 2-(2-methylsulfanyl-5-oxido-4-oxo-benzo[g]pteridin-5-ium-3-yl)acetate CAS Name: 2-[2-(methylthio)-5-oxido-4-oxo-3-benzo[g]pteridin-5-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methylsulfanyl-5-oxido-4-oxobenzo[g]pteridin-5-ium-3-yl)acetate Traditional Name: 2-[4-keto-2-(methylthio)-5-oxido-benzo[g]pteridin-5-ium-3-yl]acetic acid ethyl ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=[N+](C3=CC=CC=C3N=C2N=C1SC)[O-]

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=[N+](C3=CC=CC=C3N=C2N=C1SC)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-3-23-11(20)8-18-14(21)12-13(17-15(18)24-2)16-9-6-4-5-7-10(9)19(12)22/h4-7H,3,8H2,1-2H3