[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H20O5/c1-3-15-4-8-17(9-5-15)21(23)14(2)26-20(22)11-7-16-6-10-18-19(12-16)25-13-24-18/h4-12,14H,3,13H2,1-2H3/b11-7+/t14-/m0/s1