[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C22H24O3S MolecularWeight: 368.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OC(C)C(=O)C2=CC3=C(CCC3)C=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)O[C@H](C)C(=O)C2=CC3=C(CCC3)C=C2)C

InChI

InChI=1S/C22H24O3S/c1-14-7-10-20(11-15(14)2)26-13-21(23)25-16(3)22(24)19-9-8-17-5-4-6-18(17)12-19/h7-12,16H,4-6,13H2,1-3H3/t16-/m1/s1