[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [6-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [4-keto-6-[[(1-methylimidazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C17H12BrClN2O4S MolecularWeight: 455.71018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CN1C=CN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C17H12BrClN2O4S/c1-21-5-4-20-17(21)26-9-11-7-14(22)15(8-24-11)25-16(23)12-6-10(18)2-3-13(12)19/h2-8H,9H2,1H3