2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-5-sulfanyl-inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-5-sulfanyl-inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylene]-5-sulfanyl-inden-1-yl]acetic acid CAS Name: 2-[(3Z)-5-mercapto-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-2-methyl-3-[methylsulfonyl(phenyl)methylidene]-5-sulfanylinden-1-yl]acetic acid Traditional Name: 2-[(3Z)-5-mercapto-3-[mesyl(phenyl)methylene]-2-methyl-inden-1-yl]acetic acid Formula: C20H18O4S2 MolecularWeight: 386.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=C(C3=CC=CC=C3)S(=O)(=O)C)C=C(C=C2)S)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18O4S2/c1-12-16(11-18(21)22)15-9-8-14(25)10-17(15)19(12)20(26(2,23)24)13-6-4-3-5-7-13/h3-10,25H,11H2,1-2H3,(H,21,22)/b20-19-