methyl (2R)-4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-(5-methylpyrazol-1-yl)phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-(5-methylpyrazol-1-yl)benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-(5-methylpyrazol-1-yl)benzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-(5-methylpyrazol-1-yl)benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-12-7-8-18-20(12)14-5-3-13(4-6-14)16(21)19-9-10-24-15(11-19)17(22)23-2/h3-8,15H,9-11H2,1-2H3/t15-/m1/s1