[(6-chloranyl-1-ethanoyl-4-oxidanylidene-cinnolin-3-yl)sulfanyl-oxidanyl-methyl] ethanoate

Systemtic Name: [(6-chloranyl-1-ethanoyl-4-oxidanylidene-cinnolin-3-yl)sulfanyl-oxidanyl-methyl] ethanoate Openeye Name: [(1-acetyl-6-chloro-4-oxo-cinnolin-3-yl)sulfanyl-hydroxy-methyl] acetate CAS Name: acetic acid [[(1-acetyl-6-chloro-4-oxo-3-cinnolinyl)thio]-hydroxymethyl] ester IUPAC Name: [(1-acetyl-6-chloro-4-oxocinnolin-3-yl)sulfanyl-hydroxymethyl] acetate Traditional Name: acetic acid [[(1-acetyl-6-chloro-4-keto-cinnolin-3-yl)thio]-hydroxy-methyl] ester Formula: C13H11ClN2O5S MolecularWeight: 342.75484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=C(C=C2)Cl)C(=O)C(=N1)SC(O)OC(=O)C

Isomeric SMILES

CC(=O)N1C2=C(C=C(C=C2)Cl)C(=O)C(=N1)SC(O)OC(=O)C

InChI

InChI=1S/C13H11ClN2O5S/c1-6(17)16-10-4-3-8(14)5-9(10)11(19)12(15-16)22-13(20)21-7(2)18/h3-5,13,20H,1-2H3