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

Systemtic Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-6-cyano-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid Formula: C21H17NO3S MolecularWeight: 363.42958

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO3S/c1-13-18(9-14-3-6-16(7-4-14)26(2)25)17-8-5-15(12-22)10-20(17)19(13)11-21(23)24/h3-10H,11H2,1-2H3,(H,23,24)/b18-9+