(2Z)-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dibutylazaniumyl)methyl]-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(dibutylammonio)methyl]-3-oxo-2-(2-thienylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(dibutylammonio)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(dibutylazaniumyl)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(dibutylammonio)methyl]-3-keto-2-(2-thenylidene)coumaran-6-olate Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-3-5-11-23(12-6-4-2)15-18-19(24)10-9-17-21(25)20(26-22(17)18)14-16-8-7-13-27-16/h7-10,13-14,24H,3-6,11-12,15H2,1-2H3/b20-14-