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

Systemtic Name: methyl (2R)-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O3S2/c1-26-20(25)17-13-22(9-11-28-17)19(24)15-12-23(14-6-3-2-4-7-14)21-18(15)16-8-5-10-27-16/h2-8,10,12,17H,9,11,13H2,1H3/t17-/m1/s1