(5E)-3-methyl-2-(phenylcarbonyl)-5-(5-thiophen-2-ylpyrazolidin-3-ylidene)-1-benzofuran-6-one

Systemtic Name: (5E)-3-methyl-2-(phenylcarbonyl)-5-(5-thiophen-2-ylpyrazolidin-3-ylidene)-1-benzofuran-6-one Openeye Name: (5E)-2-benzoyl-3-methyl-5-[5-(2-thienyl)pyrazolidin-3-ylidene]benzofuran-6-one CAS Name: (5E)-2-benzoyl-3-methyl-5-(5-thiophen-2-yl-3-pyrazolidinylidene)-6-benzofuranone IUPAC Name: (5E)-2-benzoyl-3-methyl-5-(5-thiophen-2-ylpyrazolidin-3-ylidene)-1-benzofuran-6-one Traditional Name: (5E)-2-benzoyl-3-methyl-5-[5-(2-thienyl)pyrazolidin-3-ylidene]benzofuran-6-one Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC(=O)C(=C3CC(NN3)C4=CC=CS4)C=C12)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=CC(=O)/C(=C/3\CC(NN3)C4=CC=CS4)/C=C12)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H18N2O3S/c1-13-15-10-16(17-11-18(25-24-17)21-8-5-9-29-21)19(26)12-20(15)28-23(13)22(27)14-6-3-2-4-7-14/h2-10,12,18,24-25H,11H2,1H3/b17-16+