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

Systemtic Name: methyl (2R)-4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C19H23N3O3S/c1-13-16(14(2)22(20-13)15-7-5-4-6-8-15)11-18(23)21-9-10-26-17(12-21)19(24)25-3/h4-8,17H,9-12H2,1-3H3/t17-/m1/s1