methyl (2R)-4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-28-21(27)18-14-24(10-11-29-18)20(26)17-13-25(16-7-3-2-4-8-16)23-19(17)15-6-5-9-22-12-15/h2-9,12-13,18H,10-11,14H2,1H3/t18-/m1/s1