methyl (2R)-4-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3-phenyl-1H-pyrazole-5-carbonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-phenyl-1H-pyrazole-5-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3-phenyl-1H-pyrazole-5-carbonyl)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(=NN2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

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