[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-8-4-5-9(2)11(6-8)18-7-12(15)17-10(3)13(14)16/h4-6,10H,7H2,1-3H3,(H2,14,16)/t10-/m1/s1