9-bromanyl-1,6-dimethoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][5,1]benzoxathiocin-12-one

Systemtic Name: 9-bromanyl-1,6-dimethoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][5,1]benzoxathiocin-12-one Openeye Name: 9-bromo-1,6-dimethoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][5,1]benzoxathiocin-12-one CAS Name: 9-bromo-1,6-dimethoxy-8-methyl-2-(3-methyl-1-oxobutyl)-10H-benzo[b][5,1]benzoxathiocin-12-one IUPAC Name: 9-bromo-1,6-dimethoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][5,1]benzoxathiocin-12-one Traditional Name: 9-bromo-2-isovaleryl-1,6-dimethoxy-8-methyl-10H-benzo[b][5,1]benzoxathiocin-12-one Formula: C22H23BrO5S MolecularWeight: 479.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1Br)COC(=O)C3=C(S2)C=CC(=C3OC)C(=O)CC(C)C)OC

Isomeric SMILES

CC1=CC(=C2C(=C1Br)COC(=O)C3=C(S2)C=CC(=C3OC)C(=O)CC(C)C)OC

InChI

InChI=1S/C22H23BrO5S/c1-11(2)8-15(24)13-6-7-17-18(20(13)27-5)22(25)28-10-14-19(23)12(3)9-16(26-4)21(14)29-17/h6-7,9,11H,8,10H2,1-5H3