(E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-propargyloxy-phenyl)-1-(4-mesylphenyl)prop-2-en-1-one Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C)OCC#C

InChI

InChI=1S/C21H20O5S/c1-4-14-26-20-13-7-16(15-21(20)25-5-2)6-12-19(22)17-8-10-18(11-9-17)27(3,23)24/h1,6-13,15H,5,14H2,2-3H3/b12-6+