methyl (2R)-4-(3-methyl-4-nitro-phenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-methyl-4-nitro-phenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3-methyl-4-nitro-benzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(3-methyl-4-nitrophenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-methyl-4-nitrobenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3-methyl-4-nitro-benzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCSC(C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCS[C@H](C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c1-9-7-10(3-4-11(9)16(19)20)13(17)15-5-6-22-12(8-15)14(18)21-2/h3-4,7,12H,5-6,8H2,1-2H3/t12-/m1/s1