[(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [(1R)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C17H21N3O4S/c1-10-16(11(2)20(4)19-10)18-17(23)12(3)24-15(22)8-7-13(21)14-6-5-9-25-14/h5-6,9,12H,7-8H2,1-4H3,(H,18,23)/t12-/m1/s1