[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic 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-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=CC=C3SCC(=O)C

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=CC=C3SCC(=O)C

InChI

InChI=1S/C22H22O4S/c1-14(23)13-27-20-9-4-3-8-19(20)22(25)26-15(2)21(24)18-11-10-16-6-5-7-17(16)12-18/h3-4,8-12,15H,5-7,13H2,1-2H3/t15-/m1/s1