(2Z)-7-[(dibutylazaniumyl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-3-keto-2-[(3-methyl-2-thienyl)methylene]coumaran-6-olate Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(C=CC2=C1OC(=CC3=C(C=CS3)C)C2=O)[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(C=CC2=C1O/C(=C\C3=C(C=CS3)C)/C2=O)[O-]

InChI

InChI=1S/C23H29NO3S/c1-4-6-11-24(12-7-5-2)15-18-19(25)9-8-17-22(26)20(27-23(17)18)14-21-16(3)10-13-28-21/h8-10,13-14,25H,4-7,11-12,15H2,1-3H3/b20-14-