sulfanyl 4,7-dimethoxy-4-methyl-3-oxidanylidene-2-(phenylmethyl)-2-[2-(sulfinylmethyl)phenyl]heptanoate

Systemtic Name: sulfanyl 4,7-dimethoxy-4-methyl-3-oxidanylidene-2-(phenylmethyl)-2-[2-(sulfinylmethyl)phenyl]heptanoate Openeye Name: sulfanyl 2-benzyl-4,7-dimethoxy-4-methyl-3-oxo-2-[2-(sulfinylmethyl)phenyl]heptanoate CAS Name: 4,7-dimethoxy-4-methyl-3-oxo-2-(phenylmethyl)-2-[2-(sulfinylmethyl)phenyl]heptanoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-4,7-dimethoxy-4-methyl-3-oxo-2-[2-(sulfinylmethyl)phenyl]heptanoate Traditional Name: 2-benzyl-3-keto-4,7-dimethoxy-4-methyl-2-[2-(sulfinylmethyl)phenyl]enanthic acid mercapto ester Formula: C24H28O6S2 MolecularWeight: 476.60552

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC)(C(=O)C(CC1=CC=CC=C1)(C2=CC=CC=C2C=S=O)C(=O)OS)OC

Isomeric SMILES

CC(CCCOC)(C(=O)C(CC1=CC=CC=C1)(C2=CC=CC=C2C=S=O)C(=O)OS)OC

InChI

InChI=1S/C24H28O6S2/c1-23(29-3,14-9-15-28-2)21(25)24(22(26)30-31,16-18-10-5-4-6-11-18)20-13-8-7-12-19(20)17-32-27/h4-8,10-13,17,31H,9,14-16H2,1-3H3