[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H25NO3S MolecularWeight: 323.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OC(C)C(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)O[C@H](C)C(=O)NC(C)(C)C)C

InChI

InChI=1S/C17H25NO3S/c1-11-7-8-14(12(2)9-11)22-10-15(19)21-13(3)16(20)18-17(4,5)6/h7-9,13H,10H2,1-6H3,(H,18,20)/t13-/m1/s1