(7-acetamido-3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-ethanoylsulfanyl-2-methyl-propanoate

Systemtic Name: (7-acetamido-3-bromanyl-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-ethanoylsulfanyl-2-methyl-propanoate Openeye Name: (7-acetamido-3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) 3-acetylsulfanyl-2-methyl-propanoate CAS Name: 3-(acetylthio)-2-methylpropanoic acid (7-acetamido-3-bromo-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (7-acetamido-3-bromo-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-acetylsulfanyl-2-methylpropanoate Traditional Name: 3-(acetylthio)-2-methyl-propionic acid (7-acetamido-3-bromo-2,2-dimethyl-6-nitro-chroman-4-yl) ester Formula: C19H23BrN2O7S MolecularWeight: 503.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)OC1C(C(OC2=CC(=C(C=C12)[N+](=O)[O-])NC(=O)C)(C)C)Br

Isomeric SMILES

CC(CSC(=O)C)C(=O)OC1C(C(OC2=CC(=C(C=C12)[N+](=O)[O-])NC(=O)C)(C)C)Br

InChI

InChI=1S/C19H23BrN2O7S/c1-9(8-30-11(3)24)18(25)28-16-12-6-14(22(26)27)13(21-10(2)23)7-15(12)29-19(4,5)17(16)20/h6-7,9,16-17H,8H2,1-5H3,(H,21,23)