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

Systemtic Name: methyl (2R)-4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCSC(C3)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCS[C@H](C3)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-12-17(23(26)27)13(2)22(20-12)10-14-4-6-15(7-5-14)18(24)21-8-9-29-16(11-21)19(25)28-3/h4-7,16H,8-11H2,1-3H3/t16-/m1/s1