2-[(3Z)-5-fluoranyl-6-methoxy-2-methyl-3-[methylsulfanyl(phenyl)methylidene]inden-1-yl]ethanoic acid

Systemtic Name: 2-[(3Z)-5-fluoranyl-6-methoxy-2-methyl-3-[methylsulfanyl(phenyl)methylidene]inden-1-yl]ethanoic acid Openeye Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfanyl(phenyl)methylene]inden-1-yl]acetic acid CAS Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[(methylthio)-phenylmethylidene]-1-indenyl]acetic acid IUPAC Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[methylsulfanyl(phenyl)methylidene]inden-1-yl]acetic acid Traditional Name: 2-[(3Z)-5-fluoro-6-methoxy-2-methyl-3-[(methylthio)-phenyl-methylene]inden-1-yl]acetic acid Formula: C21H19FO3S MolecularWeight: 370.437163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2C1=C(C3=CC=CC=C3)SC)F)OC)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19FO3S/c1-12-14(11-19(23)24)15-10-18(25-2)17(22)9-16(15)20(12)21(26-3)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,23,24)/b21-20-