methyl (2R)-4-(4-pyrazol-1-ylphenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-pyrazol-1-ylphenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-pyrazol-1-ylbenzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-pyrazol-1-ylbenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-pyrazol-1-ylbenzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H17N3O3S/c1-22-16(21)14-11-18(9-10-23-14)15(20)12-3-5-13(6-4-12)19-8-2-7-17-19/h2-8,14H,9-11H2,1H3/t14-/m1/s1