methyl (2R)-4-[2-[(4-bromophenyl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-[(4-bromophenyl)carbonylamino]ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-[(4-bromobenzoyl)amino]acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-[[(4-bromophenyl)-oxomethyl]amino]-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-[(4-bromobenzoyl)amino]acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-[(4-bromobenzoyl)amino]acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H17BrN2O4S MolecularWeight: 401.27548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O4S/c1-22-15(21)12-9-18(6-7-23-12)13(19)8-17-14(20)10-2-4-11(16)5-3-10/h2-5,12H,6-9H2,1H3,(H,17,20)/t12-/m1/s1