ethyl 4-(4-bromanyl-3-methyl-phenyl)sulfonylthiomorpholine-3-carboxylate

Systemtic Name: ethyl 4-(4-bromanyl-3-methyl-phenyl)sulfonylthiomorpholine-3-carboxylate Openeye Name: ethyl 4-(4-bromo-3-methyl-phenyl)sulfonylthiomorpholine-3-carboxylate CAS Name: 4-(4-bromo-3-methylphenyl)sulfonyl-3-thiomorpholinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromo-3-methylphenyl)sulfonylthiomorpholine-3-carboxylate Traditional Name: 4-(4-bromo-3-methyl-phenyl)sulfonylthiomorpholine-3-carboxylic acid ethyl ester Formula: C14H18BrNO4S2 MolecularWeight: 408.33102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CSCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C14H18BrNO4S2/c1-3-20-14(17)13-9-21-7-6-16(13)22(18,19)11-4-5-12(15)10(2)8-11/h4-5,8,13H,3,6-7,9H2,1-2H3