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

Systemtic Name: methyl (2R)-4-[4-(methylamino)-3-nitro-phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(methylamino)-3-nitro-benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(methylamino)-3-nitrobenzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-(methylamino)-3-nitro-benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCSC(C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCS[C@H](C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S/c1-15-10-4-3-9(7-11(10)17(20)21)13(18)16-5-6-23-12(8-16)14(19)22-2/h3-4,7,12,15H,5-6,8H2,1-2H3/t12-/m1/s1