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

Systemtic Name: methyl (2R)-4-(4-ethoxy-3-nitro-phenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-ethoxy-3-nitro-benzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-ethoxy-3-nitrobenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-ethoxy-3-nitro-benzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCSC(C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCS[C@H](C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6S/c1-3-23-12-5-4-10(8-11(12)17(20)21)14(18)16-6-7-24-13(9-16)15(19)22-2/h4-5,8,13H,3,6-7,9H2,1-2H3/t13-/m1/s1