methyl (2R)-4-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[(5-bromo-2-furoyl)amino]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C13H15BrN2O5S MolecularWeight: 391.2376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CNC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CNC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C13H15BrN2O5S/c1-20-13(19)9-7-16(4-5-22-9)11(17)6-15-12(18)8-2-3-10(14)21-8/h2-3,9H,4-7H2,1H3,(H,15,18)/t9-/m1/s1