(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid (2-keto-2-morpholino-ethyl) ester Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)OCC(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O4S/c1-14-19(15(2)22(20-14)16-6-4-3-5-7-16)27-13-18(24)26-12-17(23)21-8-10-25-11-9-21/h3-7H,8-13H2,1-2H3