[4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-bromanylbenzoate

Systemtic Name: [4-oxidanylidene-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-bromanylbenzoate Openeye Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester IUPAC Name: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-keto-6-[(2-pyrimidylthio)methyl]pyran-3-yl] ester Formula: C17H11BrN2O4S MolecularWeight: 419.24924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H11BrN2O4S/c18-12-4-2-11(3-5-12)16(22)24-15-9-23-13(8-14(15)21)10-25-17-19-6-1-7-20-17/h1-9H,10H2