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

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [(1R)-2-(4-methoxyanilino)-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-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C18H21N3O4S/c1-11-9-12(2)20-18(19-11)26-10-16(22)25-13(3)17(23)21-14-5-7-15(24-4)8-6-14/h5-9,13H,10H2,1-4H3,(H,21,23)/t13-/m1/s1