(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methylphenyl)sulfanylethanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-(o-tolylsulfanyl)acetate CAS Name: 2-[(2-methylphenyl)thio]acetic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-(2-methylphenyl)sulfanylacetate Traditional Name: 2-(o-tolylthio)acetic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C19H15BrO4S MolecularWeight: 419.289

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C19H15BrO4S/c1-12-4-2-3-5-17(12)25-11-19(22)23-10-13-8-18(21)24-16-9-14(20)6-7-15(13)16/h2-9H,10-11H2,1H3