(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-fluorophenyl)methylsulfanyl]ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(4-fluorophenyl)methylsulfanyl]ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(4-fluorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-fluorophenyl)methylthio]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(4-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-fluorobenzyl)thio]acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H19FO4S MolecularWeight: 386.436563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CSCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H19FO4S/c1-13-7-18-16(9-20(23)26-19(18)8-14(13)2)10-25-21(24)12-27-11-15-3-5-17(22)6-4-15/h3-9H,10-12H2,1-2H3