(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C24H19BrO4S MolecularWeight: 483.37426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C24H19BrO4S/c1-14-10-21(15(2)9-19(14)25)30-13-23(27)28-12-17-11-22(26)29-20-8-7-16-5-3-4-6-18(16)24(17)20/h3-11H,12-13H2,1-2H3