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

Systemtic Name: (3-bromanyl-6-cyano-2,2-dimethyl-3,4-dihydrochromen-4-yl) 3-(4-methoxyphenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) 3-(4-methoxybenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(4-methoxyphenyl)-oxomethyl]thio]-2-methylpropanoic 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) 3-(4-methoxybenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 2-methyl-3-(p-anisoylthio)propionic acid (3-bromo-6-cyano-2,2-dimethyl-chroman-4-yl) ester Formula: C24H24BrNO5S MolecularWeight: 518.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)Br

Isomeric SMILES

CC(CSC(=O)C1=CC=C(C=C1)OC)C(=O)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)Br

InChI

InChI=1S/C24H24BrNO5S/c1-14(13-32-23(28)16-6-8-17(29-4)9-7-16)22(27)30-20-18-11-15(12-26)5-10-19(18)31-24(2,3)21(20)25/h5-11,14,20-21H,13H2,1-4H3