1-[(2R)-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl]pyrazole-3-carboxylate

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-thiomorpholin-4-yl-propan-2-yl]pyrazole-3-carboxylate Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-thiomorpholino-ethyl]pyrazole-3-carboxylate CAS Name: 1-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]-3-pyrazolecarboxylate IUPAC Name: 1-[(2R)-1-oxo-1-thiomorpholin-4-ylpropan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-thiomorpholino-ethyl]pyrazole-3-carboxylate Formula: C11H14N3O3S- MolecularWeight: 268.31216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCSCC1)N2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCSCC1)N2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C11H15N3O3S/c1-8(10(15)13-4-6-18-7-5-13)14-3-2-9(12-14)11(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)/p-1/t8-/m1/s1