(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-(1,3-dithian-2-yl)benzoate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C21H19FO3S2 MolecularWeight: 402.502163

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C21H19FO3S2/c1-12-11-16(23)19-17(8-7-15(22)18(12)19)25-20(24)13-3-5-14(6-4-13)21-26-9-2-10-27-21/h3-8,12,21H,2,9-11H2,1H3