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

Systemtic Name: [(2Z)-4-methyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-chloranylbenzenesulfonate Openeye Name: [(2Z)-4-methyl-3-oxo-2-(3-pyridylmethylene)benzofuran-6-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2Z)-4-methyl-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranyl] ester IUPAC Name: [(2Z)-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(2Z)-3-keto-4-methyl-2-(3-pyridylmethylene)coumaran-6-yl] ester Formula: C21H14ClNO5S MolecularWeight: 427.85756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)C(=CC3=CN=CC=C3)O2)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)/C(=C/C3=CN=CC=C3)/O2)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClNO5S/c1-13-9-16(28-29(25,26)17-6-4-15(22)5-7-17)11-18-20(13)21(24)19(27-18)10-14-3-2-8-23-12-14/h2-12H,1H3/b19-10-