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

Systemtic Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanoic acid Openeye Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]propanoic acid CAS Name: 2-[(3E)-6-cyano-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]propanoic acid IUPAC Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]propanoic acid Traditional Name: 2-[(3E)-6-cyano-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]propionic acid Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO2S/c1-13-19(10-15-4-7-17(26-3)8-5-15)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+