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

Systemtic Name: 2-[(3E)-4,6-dicyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-4,6-dicyano-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-4,6-dicyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-4,6-dicyano-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-4,6-dicyano-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=CC(=C2C1=CC3=CC=C(C=C3)S(=O)C)C#N)C#N)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O3S/c1-13-18(10-21(25)26)20-9-15(11-23)7-16(12-24)22(20)19(13)8-14-3-5-17(6-4-14)28(2)27/h3-9H,10H2,1-2H3,(H,25,26)/b19-8+