(3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(4-fluorophenyl)carbonylsulfanyl-2-methyl-propanoate

Systemtic Name: (3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(4-fluorophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: (3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) 3-(4-fluorobenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(4-fluorophenyl)-oxomethyl]thio]-2-methylpropanoic acid (3-bromo-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (3-bromo-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(4-fluorobenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(4-fluorobenzoyl)thio]-2-methyl-propionic acid (3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) ester Formula: C22H21BrFNO6S MolecularWeight: 526.372643

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=C(C=C1)F)C(=O)OC2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)Br

Isomeric SMILES

CC(CSC(=O)C1=CC=C(C=C1)F)C(=O)OC2C(C(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C)Br

InChI

InChI=1S/C22H21BrFNO6S/c1-12(11-32-21(27)13-4-6-14(24)7-5-13)20(26)30-18-16-10-15(25(28)29)8-9-17(16)31-22(2,3)19(18)23/h4-10,12,18-19H,11H2,1-3H3