(3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 2-methyl-3-(2-methylphenyl)carbonylsulfanyl-propanoate

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 2-methyl-3-(2-methylphenyl)carbonylsulfanyl-propanoate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 2-methyl-3-(2-methylbenzoyl)sulfanyl-propanoate CAS Name: 2-methyl-3-[[(2-methylphenyl)-oxomethyl]thio]propanoic acid (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-bromo-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 2-methyl-3-(2-methylbenzoyl)sulfanylpropanoate Traditional Name: 2-methyl-3-(o-toluoylthio)propionic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C24H24BrNO4S MolecularWeight: 502.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SCC(C)C(=O)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)SCC(C)C(=O)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)Br

InChI

InChI=1S/C24H24BrNO4S/c1-14-7-5-6-8-17(14)23(28)31-13-15(2)22(27)29-20-18-11-16(12-26)9-10-19(18)30-24(3,4)21(20)25/h5-11,15,20-21H,13H2,1-4H3