2-phenoxyethyl (2E)-2-[(3-methylsulfonylphenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-phenoxyethyl (2E)-2-[(3-methylsulfonylphenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-phenoxyethyl (2E)-2-[(3-methylsulfonylphenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-methylsulfonylphenyl)methylidene]-3-oxobutanoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (2E)-2-[(3-methylsulfonylphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-mesylphenyl)acrylic acid 2-phenoxyethyl ester Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)S(=O)(=O)C)C(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)S(=O)(=O)C)/C(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C20H20O6S/c1-15(21)19(14-16-7-6-10-18(13-16)27(2,23)24)20(22)26-12-11-25-17-8-4-3-5-9-17/h3-10,13-14H,11-12H2,1-2H3/b19-14+