(2S)-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]-1-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate

Systemtic Name: (2S)-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]-1-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate Openeye Name: (2S)-2-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxy-1-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate CAS Name: (2S)-2-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]-1-(4-methylsulfonylimino-1-cyclohexa-2,5-dienylidene)-1-propanolate IUPAC Name: (2S)-2-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxy-1-(4-methylsulfonyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate Traditional Name: (2S)-2-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxy-1-(4-mesyliminocyclohexa-2,5-dien-1-ylidene)propan-1-olate Formula: C19H19BrNO5S2- MolecularWeight: 485.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=C2C=CC(=NS(=O)(=O)C)C=C2)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)O[C@@H](C)C(=C2C=CC(=NS(=O)(=O)C)C=C2)[O-]

InChI

InChI=1S/C19H20BrNO5S2/c1-12-10-15(20)6-9-17(12)27-11-18(22)26-13(2)19(23)14-4-7-16(8-5-14)21-28(3,24)25/h4-10,13,23H,11H2,1-3H3/p-1/t13-/m0/s1