2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-oxidanylidenechromene-2-carboxylate

Systemtic Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-oxidanylidenechromene-2-carboxylate Openeye Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-oxochromene-2-carboxylate CAS Name: 4-oxo-1-benzopyran-2-carboxylic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester IUPAC Name: 2-[3-(trifluoromethyl)phenyl]sulfanylethyl 4-oxochromene-2-carboxylate Traditional Name: 4-ketochromene-2-carboxylic acid 2-[[3-(trifluoromethyl)phenyl]thio]ethyl ester Formula: C19H13F3O4S MolecularWeight: 394.36433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCCSC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)OCCSC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H13F3O4S/c20-19(21,22)12-4-3-5-13(10-12)27-9-8-25-18(24)17-11-15(23)14-6-1-2-7-16(14)26-17/h1-7,10-11H,8-9H2