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

Systemtic Name: 2-[(3Z)-6-methoxy-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-6-methoxy-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3Z)-6-methoxy-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-6-methoxy-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3Z)-6-methoxy-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]acetic acid Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20O3S/c1-13-18(10-14-4-7-16(25-3)8-5-14)17-9-6-15(24-2)11-20(17)19(13)12-21(22)23/h4-11H,12H2,1-3H3,(H,22,23)/b18-10-