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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (7-methyl-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-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-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-methyl-chromen-4-yl)methyl ester Formula: C21H19BrO4S MolecularWeight: 447.34216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=C(C=C(C(=C3)C)Br)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=C(C=C(C(=C3)C)Br)C

InChI

InChI=1S/C21H19BrO4S/c1-12-4-5-16-15(9-20(23)26-18(16)6-12)10-25-21(24)11-27-19-8-13(2)17(22)7-14(19)3/h4-9H,10-11H2,1-3H3