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

Systemtic Name: (3-bromanyl-2,2-dimethyl-3,4-dihydrochromen-4-yl) 2-methyl-3-(4-methylphenyl)carbonylsulfanyl-propanoate Openeye Name: (3-bromo-2,2-dimethyl-chroman-4-yl) 2-methyl-3-(4-methylbenzoyl)sulfanyl-propanoate CAS Name: 2-methyl-3-[[(4-methylphenyl)-oxomethyl]thio]propanoic acid (3-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl) 2-methyl-3-(4-methylbenzoyl)sulfanylpropanoate Traditional Name: 2-methyl-3-(p-toluoylthio)propionic acid (3-bromo-2,2-dimethyl-chroman-4-yl) ester Formula: C23H25BrO4S MolecularWeight: 477.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SCC(C)C(=O)OC2C(C(OC3=CC=CC=C23)(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SCC(C)C(=O)OC2C(C(OC3=CC=CC=C23)(C)C)Br

InChI

InChI=1S/C23H25BrO4S/c1-14-9-11-16(12-10-14)22(26)29-13-15(2)21(25)27-19-17-7-5-6-8-18(17)28-23(3,4)20(19)24/h5-12,15,19-20H,13H2,1-4H3