methyl (2R)-4-(3-ethoxycarbonyl-5-nitro-phenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-ethoxycarbonyl-5-nitro-phenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3-ethoxycarbonyl-5-nitro-benzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(3-ethoxycarbonyl-5-nitrophenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-ethoxycarbonyl-5-nitrobenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3-carbethoxy-5-nitro-benzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C16H18N2O7S MolecularWeight: 382.38832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7S/c1-3-25-15(20)11-6-10(7-12(8-11)18(22)23)14(19)17-4-5-26-13(9-17)16(21)24-2/h6-8,13H,3-5,9H2,1-2H3/t13-/m1/s1