2-[(3E)-5,6-dicyano-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-5,6-dicyano-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-5,6-dicyano-2-methyl-3-[(4-methylsulfonylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-5,6-dicyano-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-5,6-dicyano-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-5,6-dicyano-3-(4-mesylbenzylidene)-2-methyl-inden-1-yl]acetic acid Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=C(C(=C2)C#N)C#N)CC(=O)O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=C(C(=C2)C#N)C#N)CC(=O)O

InChI

InChI=1S/C22H16N2O4S/c1-13-18(7-14-3-5-17(6-4-14)29(2,27)28)20-8-15(11-23)16(12-24)9-21(20)19(13)10-22(25)26/h3-9H,10H2,1-2H3,(H,25,26)/b18-7+