ethyl 4-(5-bromanyl-2-ethoxy-phenyl)sulfonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(5-bromanyl-2-ethoxy-phenyl)sulfonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-(5-bromo-2-ethoxy-phenyl)sulfonylthiomorpholine-3-carboxylate CAS Name: 4-(5-bromo-2-ethoxyphenyl)sulfonyl-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-bromo-2-ethoxyphenyl)sulfonylthiomorpholine-3-carboxylate Traditional Name: 4-(5-bromo-2-ethoxy-phenyl)sulfonylthiomorpholine-3-carboxylic acid ethyl ester Formula: C15H20BrNO5S2 MolecularWeight: 438.357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCSCC2C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CCSCC2C(=O)OCC

InChI

InChI=1S/C15H20BrNO5S2/c1-3-21-13-6-5-11(16)9-14(13)24(19,20)17-7-8-23-10-12(17)15(18)22-4-2/h5-6,9,12H,3-4,7-8,10H2,1-2H3