[(1E)-1-(4-methylphenyl)sulfonylimino-3-phenylsulfanyl-isochromen-4-yl] ethanoate

Systemtic Name: [(1E)-1-(4-methylphenyl)sulfonylimino-3-phenylsulfanyl-isochromen-4-yl] ethanoate Openeye Name: [(1E)-3-phenylsulfanyl-1-(p-tolylsulfonylimino)isochromen-4-yl] acetate CAS Name: acetic acid [(1E)-1-(4-methylphenyl)sulfonylimino-3-(phenylthio)-2-benzopyran-4-yl] ester IUPAC Name: [(1E)-1-(4-methylphenyl)sulfonylimino-3-phenylsulfanylisochromen-4-yl] acetate Traditional Name: acetic acid [(1E)-3-(phenylthio)-1-tosylimino-isochromen-4-yl] ester Formula: C24H19NO5S2 MolecularWeight: 465.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C3=CC=CC=C3C(=C(O2)SC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C3=CC=CC=C3C(=C(O2)SC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C24H19NO5S2/c1-16-12-14-19(15-13-16)32(27,28)25-23-21-11-7-6-10-20(21)22(29-17(2)26)24(30-23)31-18-8-4-3-5-9-18/h3-15H,1-2H3/b25-23+