[(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [(1R)-2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [(1R)-2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)NC2=CC=CC=C2C(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C(=O)C)C

InChI

InChI=1S/C19H21N3O4S/c1-11-9-12(2)21-19(20-11)27-10-17(24)26-14(4)18(25)22-16-8-6-5-7-15(16)13(3)23/h5-9,14H,10H2,1-4H3,(H,22,25)/t14-/m1/s1