[3-bromanyl-2,2-dimethyl-6-(phenylsulfonyl)-3,4-dihydrochromen-4-yl] 2-methyl-3-naphthalen-1-ylcarbonylsulfanyl-propanoate

Systemtic Name: [3-bromanyl-2,2-dimethyl-6-(phenylsulfonyl)-3,4-dihydrochromen-4-yl] 2-methyl-3-naphthalen-1-ylcarbonylsulfanyl-propanoate Openeye Name: [6-(benzenesulfonyl)-3-bromo-2,2-dimethyl-chroman-4-yl] 2-methyl-3-(naphthalene-1-carbonylsulfanyl)propanoate CAS Name: 2-methyl-3-[[1-naphthalenyl(oxo)methyl]thio]propanoic acid [6-(benzenesulfonyl)-3-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl] ester IUPAC Name: [6-(benzenesulfonyl)-3-bromo-2,2-dimethyl-3,4-dihydrochromen-4-yl] 2-methyl-3-(naphthalene-1-carbonylsulfanyl)propanoate Traditional Name: 2-methyl-3-(1-naphthoylthio)propionic acid (6-besyl-3-bromo-2,2-dimethyl-chroman-4-yl) ester Formula: C32H29BrO6S2 MolecularWeight: 653.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC2=CC=CC=C21)C(=O)OC3C(C(OC4=C3C=C(C=C4)S(=O)(=O)C5=CC=CC=C5)(C)C)Br

Isomeric SMILES

CC(CSC(=O)C1=CC=CC2=CC=CC=C21)C(=O)OC3C(C(OC4=C3C=C(C=C4)S(=O)(=O)C5=CC=CC=C5)(C)C)Br

InChI

InChI=1S/C32H29BrO6S2/c1-20(19-40-31(35)25-15-9-11-21-10-7-8-14-24(21)25)30(34)38-28-26-18-23(41(36,37)22-12-5-4-6-13-22)16-17-27(26)39-32(2,3)29(28)33/h4-18,20,28-29H,19H2,1-3H3