[2-[5-[1,2-bis(bromanyl)propoxy]-1-ethoxy-4-sulfanylidene-pyridin-3-yl]phenyl] methanesulfonate

Systemtic Name: [2-[5-[1,2-bis(bromanyl)propoxy]-1-ethoxy-4-sulfanylidene-pyridin-3-yl]phenyl] methanesulfonate Openeye Name: [2-[5-(1,2-dibromopropoxy)-1-ethoxy-4-thioxo-3-pyridyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[5-(1,2-dibromopropoxy)-1-ethoxy-4-sulfanylidene-3-pyridinyl]phenyl] ester IUPAC Name: [2-[5-(1,2-dibromopropoxy)-1-ethoxy-4-sulfanylidenepyridin-3-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[5-(1,2-dibromopropoxy)-1-ethoxy-4-thioxo-3-pyridyl]phenyl] ester Formula: C17H19Br2NO5S2 MolecularWeight: 541.27446

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Descriptors Computed from Structure

Canonical SMILES:

CCON1C=C(C(=S)C(=C1)OC(C(C)Br)Br)C2=CC=CC=C2OS(=O)(=O)C

Isomeric SMILES

CCON1C=C(C(=S)C(=C1)OC(C(C)Br)Br)C2=CC=CC=C2OS(=O)(=O)C

InChI

InChI=1S/C17H19Br2NO5S2/c1-4-23-20-9-13(16(26)15(10-20)24-17(19)11(2)18)12-7-5-6-8-14(12)25-27(3,21)22/h5-11,17H,4H2,1-3H3