(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H21BrO4S MolecularWeight: 461.36874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=C(C=C(C(=C3)C)Br)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=C(C=C(C(=C3)C)Br)C)C

InChI

InChI=1S/C22H21BrO4S/c1-12-5-6-17-16(9-20(24)27-22(17)15(12)4)10-26-21(25)11-28-19-8-13(2)18(23)7-14(19)3/h5-9H,10-11H2,1-4H3