[2-[(E)-2-(1-benzofuran-2-yl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-2-(1-benzofuran-2-yl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-2-(benzofuran-2-yl)vinyl]-4-methyl-6-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-2-(2-benzofuranyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(1-benzofuran-2-yl)ethenyl]-4-methyl-6-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-2-(benzofuran-2-yl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)C=CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)/C=C/C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H19NO5S/c1-16-7-11-21(12-8-16)30(26,27)29-24-19(13-17(2)14-23(24)25)9-10-20-15-18-5-3-4-6-22(18)28-20/h3-15H,1-2H3/b10-9+