(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H17FO5S MolecularWeight: 388.409383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCSC3=CC=C(C=C3)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCSC3=CC=C(C=C3)F)O

InChI

InChI=1S/C20H17FO5S/c1-12-17(22)7-6-16-13(10-19(24)26-20(12)16)11-25-18(23)8-9-27-15-4-2-14(21)3-5-15/h2-7,10,22H,8-9,11H2,1H3