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

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OC(C)C(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)O[C@H](C)C(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO3S/c1-15-9-10-19(16(2)13-15)26-14-20(23)25-17(3)21(24)22-12-11-18-7-5-4-6-8-18/h4-10,13,17H,11-12,14H2,1-3H3,(H,22,24)/t17-/m1/s1