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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C1=CC3=CC=C(C=C3)SC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18O2S/c1-13-18(11-14-7-9-15(23-2)10-8-14)16-5-3-4-6-17(16)19(13)12-20(21)22/h3-11H,12H2,1-2H3,(H,21,22)/b18-11+