2-[2-methoxy-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-(4-methylsulfonylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(4-mesylphenyl)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C)OCC#N

InChI

InChI=1S/C19H17NO5S/c1-24-19-13-14(4-10-18(19)25-12-11-20)3-9-17(21)15-5-7-16(8-6-15)26(2,22)23/h3-10,13H,12H2,1-2H3/b9-3+