methyl (2R)-4-[3-[(4-bromophenyl)carbonylamino]propanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[3-[(4-bromophenyl)carbonylamino]propanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[3-[(4-bromobenzoyl)amino]propanoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[3-[(4-bromobenzoyl)amino]propanoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[3-[(4-bromobenzoyl)amino]propanoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O4S/c1-23-16(22)13-10-19(8-9-24-13)14(20)6-7-18-15(21)11-2-4-12(17)5-3-11/h2-5,13H,6-10H2,1H3,(H,18,21)/t13-/m1/s1