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

Systemtic Name: 2-[(3Z)-2,6-dimethyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-2,6-dimethyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3Z)-2,6-dimethyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-2,6-dimethyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3Z)-2,6-dimethyl-3-[4-(methylthio)benzylidene]inden-1-yl]acetic acid Formula: C21H20O2S MolecularWeight: 336.4473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC3=CC=C(C=C3)SC)C(=C2CC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)/C(=C\C3=CC=C(C=C3)SC)/C(=C2CC(=O)O)C

InChI

InChI=1S/C21H20O2S/c1-13-4-9-17-18(11-15-5-7-16(24-3)8-6-15)14(2)19(12-21(22)23)20(17)10-13/h4-11H,12H2,1-3H3,(H,22,23)/b18-11-