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

Systemtic Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-6-cyano-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-6-cyano-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]acetic acid Formula: C21H17NO2S MolecularWeight: 347.43018

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO2S/c1-13-18(9-14-3-6-16(25-2)7-4-14)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+