methyl (2R)-4-(3-nitrophenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-nitrophenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3-nitrobenzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(3-nitrophenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-nitrobenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3-nitrobenzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5S/c1-20-13(17)11-8-14(5-6-21-11)12(16)9-3-2-4-10(7-9)15(18)19/h2-4,7,11H,5-6,8H2,1H3/t11-/m1/s1