methyl (2R)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCSC(C2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCS[C@H](C2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N4O4S/c1-8-11(16(18)19)9(2)15(13-8)7-14-4-5-21-10(6-14)12(17)20-3/h10H,4-7H2,1-3H3/t10-/m1/s1