2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]propanoic acid

Systemtic Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]propanoic acid Openeye Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]propanoic acid CAS Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]propanoic acid IUPAC Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]propanoic acid Traditional Name: 2-[(3E)-6-cyano-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]propionic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO3S/c1-13-19(10-15-4-7-17(8-5-15)27(3)26)18-9-6-16(12-23)11-20(18)21(13)14(2)22(24)25/h4-11,14H,1-3H3,(H,24,25)/b19-10+