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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OC(C)C(=O)NC2CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)O[C@H](C)C(=O)NC2CC2

InChI

InChI=1S/C16H21NO3S/c1-10-4-5-11(2)14(8-10)21-9-15(18)20-12(3)16(19)17-13-6-7-13/h4-5,8,12-13H,6-7,9H2,1-3H3,(H,17,19)/t12-/m1/s1