methyl (2R)-4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H15BrFNO3S MolecularWeight: 388.251903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C15H15BrFNO3S/c1-21-15(20)13-9-18(6-7-22-13)14(19)5-2-10-8-11(16)3-4-12(10)17/h2-5,8,13H,6-7,9H2,1H3/b5-2+/t13-/m1/s1