ethyl (2Z)-2-[(3-methylphenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate

Systemtic Name: ethyl (2Z)-2-[(3-methylphenyl)-(4-methylsulfonylphenyl)methylidene]-4-oxidanyl-butanoate Openeye Name: ethyl (2Z)-4-hydroxy-2-[(4-methylsulfonylphenyl)-(m-tolyl)methylene]butanoate CAS Name: (2Z)-4-hydroxy-2-[(3-methylphenyl)-(4-methylsulfonylphenyl)methylidene]butanoic acid ethyl ester IUPAC Name: ethyl (2Z)-4-hydroxy-2-[(3-methylphenyl)-(4-methylsulfonylphenyl)methylidene]butanoate Traditional Name: (Z)-2-(2-hydroxyethyl)-3-(4-mesylphenyl)-3-(m-tolyl)acrylic acid ethyl ester Formula: C21H24O5S MolecularWeight: 388.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=C(C=C1)S(=O)(=O)C)C2=CC(=CC=C2)C)CCO

Isomeric SMILES

CCOC(=O)/C(=C(/C1=CC=C(C=C1)S(=O)(=O)C)\C2=CC(=CC=C2)C)/CCO

InChI

InChI=1S/C21H24O5S/c1-4-26-21(23)19(12-13-22)20(17-7-5-6-15(2)14-17)16-8-10-18(11-9-16)27(3,24)25/h5-11,14,22H,4,12-13H2,1-3H3/b20-19-