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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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-methoxy-chromen-4-yl)methyl ester Formula: C21H19BrO5S MolecularWeight: 463.34156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C21H19BrO5S/c1-12-7-19(13(2)6-17(12)22)28-11-21(24)26-10-14-8-20(23)27-18-9-15(25-3)4-5-16(14)18/h4-9H,10-11H2,1-3H3