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

Systemtic Name: 2-[(3E)-1-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-2-yl]ethanoic acid Openeye Name: 2-[(3E)-1-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-2-yl]acetic acid CAS Name: 2-[(3E)-1-methyl-3-[[4-(methylthio)phenyl]methylidene]-2-indenyl]acetic acid IUPAC Name: 2-[(3E)-1-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-2-yl]acetic acid Traditional Name: 2-[(3E)-1-methyl-3-[4-(methylthio)benzylidene]inden-2-yl]acetic acid Formula: C20H18O2S MolecularWeight: 322.42072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)SC)C3=CC=CC=C13)CC(=O)O

Isomeric SMILES

CC1=C(/C(=C\C2=CC=C(C=C2)SC)/C3=CC=CC=C13)CC(=O)O

InChI

InChI=1S/C20H18O2S/c1-13-16-5-3-4-6-17(16)19(18(13)12-20(21)22)11-14-7-9-15(23-2)10-8-14/h3-11H,12H2,1-2H3,(H,21,22)/b19-11-