methyl (2R)-4-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(1-benzyl-3-phenylpyrazole-4-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-29-23(28)20-16-25(12-13-30-20)22(27)19-15-26(14-17-8-4-2-5-9-17)24-21(19)18-10-6-3-7-11-18/h2-11,15,20H,12-14,16H2,1H3/t20-/m1/s1