[(2Z)-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] methanesulfonate

Systemtic Name: [(2Z)-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] methanesulfonate Openeye Name: [(2Z)-4-methyl-3-oxo-2-(4-pyridylmethylene)benzofuran-6-yl] methanesulfonate CAS Name: methanesulfonic acid [(2Z)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [(2Z)-3-keto-4-methyl-2-(4-pyridylmethylene)coumaran-6-yl] ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CC3=CC=NC=C3)O2)OS(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)/C(=C/C3=CC=NC=C3)/O2)OS(=O)(=O)C

InChI

InChI=1S/C16H13NO5S/c1-10-7-12(22-23(2,19)20)9-13-15(10)16(18)14(21-13)8-11-3-5-17-6-4-11/h3-9H,1-2H3/b14-8-