2-[(3E)-2-methyl-5-sulfanyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3E)-2-methyl-5-sulfanyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3E)-2-methyl-5-sulfanyl-3-[(3,4,5-trimethoxyphenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3E)-5-mercapto-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3E)-2-methyl-5-sulfanyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3E)-5-mercapto-2-methyl-3-(3,4,5-trimethoxybenzylidene)inden-1-yl]acetic acid Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O5S/c1-12-16(7-13-8-19(25-2)22(27-4)20(9-13)26-3)18-10-14(28)5-6-15(18)17(12)11-21(23)24/h5-10,28H,11H2,1-4H3,(H,23,24)/b16-7+