[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C19H18O5 MolecularWeight: 326.34322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H18O5/c1-12-7-9-14(10-8-12)18(20)13(2)23-19(21)17-11-22-15-5-3-4-6-16(15)24-17/h3-10,13,17H,11H2,1-2H3/t13-,17-/m0/s1