(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C20H17BrO4S MolecularWeight: 433.31558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C20H17BrO4S/c1-13-2-5-16(6-3-13)26-9-8-19(22)24-12-14-10-20(23)25-18-11-15(21)4-7-17(14)18/h2-7,10-11H,8-9,12H2,1H3